General Information of the Compound
| Compound ID |
CP0552309
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| Compound Name |
(1-(4-chlorophenoxy)-9-(((3R,4S)-3-fluoropiperidin-4-yl)methyl)-9H-carbazol-3-yl)(4-(2,2,2-trifluoroethyl)piperazin-1-yl)methanone
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| Structure |
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| Formula |
C31H31ClF4N4O2
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| Molecular Weight |
603.06
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| Canonical SMILES |
F[C@H]1CNCC[C@H]1Cn1c2ccccc2c2cc(cc(Oc3ccc(Cl)cc3)c12)C(=O)N1CCN(CC(F)(F)F)CC1
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| InChI |
InChI=1S/C31H31ClF4N4O2/c32-22-5-7-23(8-6-22)42-28-16-21(30(41)39-13-11-38(12-14-39)19-31(34,35)36)15-25-24-3-1-2-4-27(24)40(29(25)28)18-20-9-10-37-17-26(20)33/h1-8,15-16,20,26,37H,9-14,17-19H2/t20-,26-/m0/s1
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| InChIKey |
RSDYGTXGQLVPFB-FNZWTVRRSA-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