General Information of the Compound
| Compound ID |
CP0506600
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| Compound Name |
3,4-dichloro-N-(1-((4S)-4-(cyclobutanecarboxamido)-4-phenylbutan-2-yl)piperidin-4-yl)-N-ethylbenzamide
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| Structure |
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| Formula |
C29H37Cl2N3O2
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| Molecular Weight |
530.54
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| Canonical SMILES |
CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C29H37Cl2N3O2/c1-3-34(29(36)23-12-13-25(30)26(31)19-23)24-14-16-33(17-15-24)20(2)18-27(21-8-5-4-6-9-21)32-28(35)22-10-7-11-22/h4-6,8-9,12-13,19-20,22,24,27H,3,7,10-11,14-18H2,1-2H3,(H,32,35)/t20?,27-/m0/s1
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| InChIKey |
JRDUTWSFVKMJDC-OHMHCFLMSA-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