General Information of the Compound
| Compound ID |
CP0287542
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| Compound Name |
(1R,3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-3-[6-(dimethylamino)hexanoylamino]-N-methylcyclopentane-1-carboxamide
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| Structure |
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| Formula |
C28H37N5O2
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| Molecular Weight |
475.637
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| Canonical SMILES |
CN(C)CCCCCC(=O)N[C@H]1CC[C@H](C1)C(=O)N(C)c1ccc(cc1)-c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C28H37N5O2/c1-32(2)18-8-4-5-11-26(34)29-22-15-12-21(19-22)28(35)33(3)23-16-13-20(14-17-23)27-30-24-9-6-7-10-25(24)31-27/h6-7,9-10,13-14,16-17,21-22H,4-5,8,11-12,15,18-19H2,1-3H3,(H,29,34)(H,30,31)/t21-,22+/m1/s1
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| InChIKey |
ZUMWOSBNAKTRNJ-YADHBBJMSA-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