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4-chloro-1-methyl-3-({4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl}methyl)-1H-indazole

ChemBase ID: 865794
Molecular Formular: C18H22ClN5S
Molecular Mass: 375.91878
Monoisotopic Mass: 375.12844441
SMILES and InChIs

SMILES:
c1(nn(c2c1c(Cl)ccc2)C)CN1CCN(Cc2nc(sc2)C)CC1
Canonical SMILES:
Cc1scc(n1)CN1CCN(CC1)Cc1nn(c2c1c(Cl)ccc2)C
InChI:
InChI=1S/C18H22ClN5S/c1-13-20-14(12-25-13)10-23-6-8-24(9-7-23)11-16-18-15(19)4-3-5-17(18)22(2)21-16/h3-5,12H,6-11H2,1-2H3
InChIKey:
GWIRCBAHLAUQTK-UHFFFAOYSA-N

Cite this record

CBID:865794 http://www.chembase.cn/molecule-865794.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-1-methyl-3-({4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl}methyl)-1H-indazole
IUPAC Traditional name
4-chloro-1-methyl-3-({4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl}methyl)indazole
Synonyms
4-chloro-1-methyl-3-({4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl}methyl)-1H-indazole

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 1.3957384  LogD (pH = 7.4) 2.4244168 
Log P 2.4818192  Molar Refractivity 113.904 cm3
Polarizability 40.773205 Å3 Polar Surface Area 37.19 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.64  LOG S -2.33 
Polar Surface Area 37.19 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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