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415713-60-9 molecular structure
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3-chloro-1-(3,4-dichlorophenyl)-4-(morpholin-4-yl)-2,5-dihydro-1H-pyrrole-2,5-dione

ChemBase ID: 313067
Molecular Formular: C14H11Cl3N2O3
Molecular Mass: 361.60774
Monoisotopic Mass: 359.98352526
SMILES and InChIs

SMILES:
c1(cc(ccc1Cl)N1C(=O)C(=C(C1=O)Cl)N1CCOCC1)Cl
Canonical SMILES:
O=C1N(c2ccc(c(c2)Cl)Cl)C(=O)C(=C1N1CCOCC1)Cl
InChI:
InChI=1S/C14H11Cl3N2O3/c15-9-2-1-8(7-10(9)16)19-13(20)11(17)12(14(19)21)18-3-5-22-6-4-18/h1-2,7H,3-6H2
InChIKey:
MWSUIZKGNWELRF-UHFFFAOYSA-N

Cite this record

CBID:313067 http://www.chembase.cn/molecule-313067.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-chloro-1-(3,4-dichlorophenyl)-4-(morpholin-4-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
IUPAC Traditional name
3-chloro-1-(3,4-dichlorophenyl)-4-(morpholin-4-yl)pyrrole-2,5-dione
Synonyms
RAD51 inhibitor 1
RI-1
CAS Number
415713-60-9

DATA SOURCES

DATA SOURCES

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Data Source Data ID
Selleck Chemicals S8077 external link Add to cart
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2840602  LogD (pH = 7.4) 2.2840626 
Log P 2.2840626  Molar Refractivity 85.1953 cm3
Polarizability 32.28531 Å3 Polar Surface Area 49.85 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Pharmacology Properties Product Information Bioassay(PubChem)
Target
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Salt Data
Free Base expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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