General Information of the Compound
| Compound ID |
CP0499172
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| Compound Name |
[4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]-quinolin-4-ylmethanone
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| Structure |
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| Formula |
C28H31Cl2N3O2
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| Molecular Weight |
512.481
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| Canonical SMILES |
CO[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccnc2ccccc12
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| InChI |
InChI=1S/C28H31Cl2N3O2/c1-35-27-18-33(13-9-20(27)16-19-6-7-24(29)25(30)17-19)21-10-14-32(15-11-21)28(34)23-8-12-31-26-5-3-2-4-22(23)26/h2-8,12,17,20-21,27H,9-11,13-16,18H2,1H3/t20-,27-/m1/s1
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| InChIKey |
HHQHIMRAAROGLI-NFQMXDRXSA-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