General Information of the Compound
| Compound ID |
CP0384014
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| Compound Name |
(2-Chloro-phenyl)-{(3S,4S)-3-phenyl-4-[4-(propyl-pyridin-2-yl-amino)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-methanone
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| Structure |
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| Formula |
C31H37ClN4O
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| Molecular Weight |
517.117
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| Canonical SMILES |
CCCN(C1CCN(C[C@H]2CN(C[C@@H]2c2ccccc2)C(=O)c2ccccc2Cl)CC1)c1ccccn1
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| InChI |
InChI=1S/C31H37ClN4O/c1-2-18-36(30-14-8-9-17-33-30)26-15-19-34(20-16-26)21-25-22-35(23-28(25)24-10-4-3-5-11-24)31(37)27-12-6-7-13-29(27)32/h3-14,17,25-26,28H,2,15-16,18-23H2,1H3/t25-,28+/m0/s1
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| InChIKey |
IAIPKBDOARAZEA-LBNVMWSVSA-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