General Information of the Compound
| Compound ID |
CP0876372
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| Compound Name |
2-((cyclopropylmethyl)(3,4-dichlorophenyl)amino)-1-((2R,3R)-3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl)ethanone
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| Structure |
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| Formula |
C28H35Cl2N3O
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| Molecular Weight |
500.514
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| Canonical SMILES |
O=C(CN(CC1CC1)c1ccc(Cl)c(Cl)c1)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1
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| InChI |
InChI=1S/C28H35Cl2N3O/c29-25-13-12-23(17-26(25)30)32(18-21-10-11-21)20-28(34)33-16-6-9-24(22-7-2-1-3-8-22)27(33)19-31-14-4-5-15-31/h1-3,7-8,12-13,17,21,24,27H,4-6,9-11,14-16,18-20H2/t24-,27+/m1/s1
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| InChIKey |
HZPVFTXDENGXIK-SQHAQQRYSA-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