General Information of the Compound
| Compound ID |
CP0515639
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| Compound Name |
N-[(1S)-3-[4-[[2-(3-chlorophenyl)acetyl]-ethylamino]piperidin-1-yl]-1-phenylbutyl]cyclobutanecarboxamide
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| Structure |
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| Formula |
C30H40ClN3O2
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| Molecular Weight |
510.122
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| Canonical SMILES |
CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Cc1cccc(Cl)c1
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| InChI |
InChI=1S/C30H40ClN3O2/c1-3-34(29(35)21-23-9-7-14-26(31)20-23)27-15-17-33(18-16-27)22(2)19-28(24-10-5-4-6-11-24)32-30(36)25-12-8-13-25/h4-7,9-11,14,20,22,25,27-28H,3,8,12-13,15-19,21H2,1-2H3,(H,32,36)/t22?,28-/m0/s1
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| InChIKey |
BKSQFACSRZWUHK-WNWQKLGWSA-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