General Information of the Compound
| Compound ID |
CP0463750
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| Compound Name |
4-(((4-tert-butylcyclohexyl)(1-cyclopentyl-1H-benzo[d]imidazol-2-yl)amino)methyl)-N-(1H-tetrazol-5-yl)benzamide
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| Formula |
C31H40N8O
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| Molecular Weight |
540.716
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| Canonical SMILES |
CC(C)(C)[C@H]1CC[C@@H](CC1)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)c1nc2ccccc2n1C1CCCC1
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| InChI |
InChI=1S/C31H40N8O/c1-31(2,3)23-16-18-24(19-17-23)38(20-21-12-14-22(15-13-21)28(40)33-29-34-36-37-35-29)30-32-26-10-6-7-11-27(26)39(30)25-8-4-5-9-25/h6-7,10-15,23-25H,4-5,8-9,16-20H2,1-3H3,(H2,33,34,35,36,37,40)/t23-,24-
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| InChIKey |
NIFVYFXGLDPSMC-RQNOJGIXSA-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