General Information of the Compound
| Compound ID |
CP0307187
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| Compound Name |
4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-imidazol-1-ylpropyl)benzimidazol-2-yl]benzamide
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| Structure |
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| Formula |
C29H31N7O2
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| Molecular Weight |
509.614
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| Canonical SMILES |
CN(C(=O)C1CCCCC1)c1ccc2n(CCCn3ccnc3)c(NC(=O)c3ccc(cc3)C#N)nc2c1
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| InChI |
InChI=1S/C29H31N7O2/c1-34(28(38)23-6-3-2-4-7-23)24-12-13-26-25(18-24)32-29(36(26)16-5-15-35-17-14-31-20-35)33-27(37)22-10-8-21(19-30)9-11-22/h8-14,17-18,20,23H,2-7,15-16H2,1H3,(H,32,33,37)
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| InChIKey |
DAMJBUUVVWRAQN-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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