General Information of the Compound
| Compound ID |
CP0439805
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| Compound Name |
5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-2-(thiophen-3-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
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| Structure |
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| Formula |
C24H24Cl2N2OS
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| Molecular Weight |
459.442
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| Canonical SMILES |
Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccsc1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C24H24Cl2N2OS/c1-15-22-21(9-11-27(24(22)29)18-5-3-2-4-6-18)28(23(15)16-10-12-30-14-16)20-8-7-17(25)13-19(20)26/h7-8,10,12-14,18H,2-6,9,11H2,1H3
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| InChIKey |
PLUAVIVDXATSKY-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound