General Information of the Compound
| Compound ID |
CP0515186
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| Compound Name |
1-(4-chlorophenoxy)-9-(((3S,4S)-3-fluoropiperidin-4-yl)methyl)-N,N-dimethyl-9H-carbazole-3-carboxamide
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| Structure |
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| Formula |
C27H27ClFN3O2
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| Molecular Weight |
479.983
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| Canonical SMILES |
CN(C)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCNC[C@H]3F)c3ccccc3c2c1
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| InChI |
InChI=1S/C27H27ClFN3O2/c1-31(2)27(33)18-13-22-21-5-3-4-6-24(21)32(16-17-11-12-30-15-23(17)29)26(22)25(14-18)34-20-9-7-19(28)8-10-20/h3-10,13-14,17,23,30H,11-12,15-16H2,1-2H3/t17-,23+/m0/s1
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| InChIKey |
PEYOMDPJARZSIW-GAJHUEQPSA-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