General Information of the Compound
| Compound ID |
CP0427113
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| Compound Name |
N-[(1S)-3-[4-[[2-(2,4-dichlorophenyl)acetyl]-ethylamino]piperidin-1-yl]-1-phenylbutyl]cyclobutanecarboxamide
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| Structure |
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| Formula |
C30H39Cl2N3O2
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| Molecular Weight |
544.567
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| Canonical SMILES |
CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C30H39Cl2N3O2/c1-3-35(29(36)19-24-12-13-25(31)20-27(24)32)26-14-16-34(17-15-26)21(2)18-28(22-8-5-4-6-9-22)33-30(37)23-10-7-11-23/h4-6,8-9,12-13,20-21,23,26,28H,3,7,10-11,14-19H2,1-2H3,(H,33,37)/t21?,28-/m0/s1
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| InChIKey |
JLIFFPLWLAEVIL-QVWGJOIVSA-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