General Information of the Compound
| Compound ID |
CP0525382
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| Compound Name |
4-[3-[[5-chloro-1-(3-cyanopropyl)indol-2-yl]methyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]-N-cyclopropylbenzamide
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| Structure |
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| Formula |
C29H25ClN6O2
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| Molecular Weight |
525.012
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| Canonical SMILES |
Clc1ccc2n(CCCC#N)c(Cn3c4cnccc4n(-c4ccc(cc4)C(=O)NC4CC4)c3=O)cc2c1
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| InChI |
InChI=1S/C29H25ClN6O2/c30-21-5-10-25-20(15-21)16-24(34(25)14-2-1-12-31)18-35-27-17-32-13-11-26(27)36(29(35)38)23-8-3-19(4-9-23)28(37)33-22-6-7-22/h3-5,8-11,13,15-17,22H,1-2,6-7,14,18H2,(H,33,37)
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| InChIKey |
AYPCLAOKPJWOEY-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