General Information of the Compound
| Compound ID |
CP0280134
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| Compound Name |
(1R,3S)-3-[6-(dimethylamino)hexanoylamino]-N-methyl-N-[4-(1-methylbenzimidazol-2-yl)phenyl]cyclopentane-1-carboxamide
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| Structure |
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| Formula |
C29H39N5O2
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| Molecular Weight |
489.664
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| Canonical SMILES |
CN(C)CCCCCC(=O)N[C@H]1CC[C@H](C1)C(=O)N(C)c1ccc(cc1)-c1nc2ccccc2n1C
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| InChI |
InChI=1S/C29H39N5O2/c1-32(2)19-9-5-6-12-27(35)30-23-16-13-22(20-23)29(36)33(3)24-17-14-21(15-18-24)28-31-25-10-7-8-11-26(25)34(28)4/h7-8,10-11,14-15,17-18,22-23H,5-6,9,12-13,16,19-20H2,1-4H3,(H,30,35)/t22-,23+/m1/s1
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| InChIKey |
CGYQYUCLJUDKAW-PKTZIBPZSA-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