General Information of the Compound
| Compound ID |
CP0433573
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| Compound Name |
[4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-(fluoromethyl)piperidin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone
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| Structure |
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| Formula |
C28H30Cl2FN3O
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| Molecular Weight |
514.472
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| Canonical SMILES |
FC[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1
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| InChI |
InChI=1S/C28H30Cl2FN3O/c29-25-5-3-19(15-26(25)30)14-20-7-11-34(18-23(20)17-31)24-8-12-33(13-9-24)28(35)22-4-6-27-21(16-22)2-1-10-32-27/h1-6,10,15-16,20,23-24H,7-9,11-14,17-18H2/t20-,23-/m1/s1
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| InChIKey |
FVAOVJNENUJPIS-NFBKMPQASA-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