General Information of the Compound
| Compound ID |
CP0392381
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| Compound Name |
[4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-ethylpiperidin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone
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| Structure |
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| Formula |
C29H33Cl2N3O
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| Molecular Weight |
510.509
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| Canonical SMILES |
CC[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1
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| InChI |
InChI=1S/C29H33Cl2N3O/c1-2-21-19-34(13-9-22(21)16-20-5-7-26(30)27(31)17-20)25-10-14-33(15-11-25)29(35)24-6-8-28-23(18-24)4-3-12-32-28/h3-8,12,17-18,21-22,25H,2,9-11,13-16,19H2,1H3/t21-,22-/m1/s1
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| InChIKey |
ARYIMOASXQFMAS-FGZHOGPDSA-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