General Information of the Compound
| Compound ID |
CP0377273
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| Compound Name |
2-{3-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-propyl}-2-phenyl-succinonitrile
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| Structure |
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| Formula |
C24H26ClN3O
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| Molecular Weight |
407.945
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| Canonical SMILES |
OC1(CCN(CCCC(CC#N)(C#N)c2ccccc2)CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H26ClN3O/c25-22-9-7-21(8-10-22)24(29)13-17-28(18-14-24)16-4-11-23(19-27,12-15-26)20-5-2-1-3-6-20/h1-3,5-10,29H,4,11-14,16-18H2
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| InChIKey |
LVLOOFKQMMPSED-UHFFFAOYSA-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