General Information of the Compound
| Compound ID |
CP0086453
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| Compound Name |
(1R,3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-N-methyl-3-(2-methylpropanoylamino)cyclopentane-1-carboxamide
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| Structure |
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| Formula |
C24H28N4O2
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| Molecular Weight |
404.514
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| Canonical SMILES |
CC(C)C(=O)N[C@H]1CC[C@H](C1)C(=O)N(C)c1ccc(cc1)-c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C24H28N4O2/c1-15(2)23(29)25-18-11-8-17(14-18)24(30)28(3)19-12-9-16(10-13-19)22-26-20-6-4-5-7-21(20)27-22/h4-7,9-10,12-13,15,17-18H,8,11,14H2,1-3H3,(H,25,29)(H,26,27)/t17-,18+/m1/s1
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| InChIKey |
UQPXZORKDJUTMK-MSOLQXFVSA-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