General Information of the Compound
| Compound ID |
CP0510218
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| Compound Name |
4-chloro-N-(1-((4S)-4-(cyclobutanecarboxamido)-4-phenylbutan-2-yl)piperidin-4-yl)-N-ethylbenzamide
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| Structure |
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| Formula |
C29H38ClN3O2
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| Molecular Weight |
496.095
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| Canonical SMILES |
CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C29H38ClN3O2/c1-3-33(29(35)24-12-14-25(30)15-13-24)26-16-18-32(19-17-26)21(2)20-27(22-8-5-4-6-9-22)31-28(34)23-10-7-11-23/h4-6,8-9,12-15,21,23,26-27H,3,7,10-11,16-20H2,1-2H3,(H,31,34)/t21?,27-/m0/s1
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| InChIKey |
LDNUDNVKCRWGIH-YQAGWJQESA-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