General Information of the Compound
| Compound ID |
CP0552295
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| Compound Name |
(1-(4-chlorophenoxy)-9-(((3R,4S)-3-fluoropiperidin-4-yl)methyl)-9H-carbazol-3-yl)(4-hydroxypiperidin-1-yl)methanone
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| Structure |
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| Formula |
C30H31ClFN3O3
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| Molecular Weight |
536.047
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| Canonical SMILES |
OC1CCN(CC1)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCNC[C@@H]3F)c3ccccc3c2c1
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| InChI |
InChI=1S/C30H31ClFN3O3/c31-21-5-7-23(8-6-21)38-28-16-20(30(37)34-13-10-22(36)11-14-34)15-25-24-3-1-2-4-27(24)35(29(25)28)18-19-9-12-33-17-26(19)32/h1-8,15-16,19,22,26,33,36H,9-14,17-18H2/t19-,26-/m0/s1
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| InChIKey |
JQMKEKBWODEOQN-SIBVEZHUSA-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