General Information of the Compound
| Compound ID |
CP0302414
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| Compound Name |
(1R,3S)-N-methyl-N-[4-(1-methylbenzimidazol-2-yl)phenyl]-3-(propanoylamino)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 |
CCC(=O)N[C@H]1CC[C@H](C1)C(=O)N(C)c1ccc(cc1)-c1nc2ccccc2n1C
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| InChI |
InChI=1S/C24H28N4O2/c1-4-22(29)25-18-12-9-17(15-18)24(30)27(2)19-13-10-16(11-14-19)23-26-20-7-5-6-8-21(20)28(23)3/h5-8,10-11,13-14,17-18H,4,9,12,15H2,1-3H3,(H,25,29)/t17-,18+/m1/s1
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| InChIKey |
WBSRKIBZUNHAJK-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