General Information of the Compound
| Compound ID |
CP0489306
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| Compound Name |
(1-(4-chlorophenoxy)-9-(((3S,4S)-3-fluoro-1-methylpiperidin-4-yl)methyl)-9H-carbazol-3-yl)(4-methylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C31H34ClFN4O2
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| Molecular Weight |
549.09
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCN(C)C[C@H]3F)c3ccccc3c2c1
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| InChI |
InChI=1S/C31H34ClFN4O2/c1-34-13-15-36(16-14-34)31(38)22-17-26-25-5-3-4-6-28(25)37(19-21-11-12-35(2)20-27(21)33)30(26)29(18-22)39-24-9-7-23(32)8-10-24/h3-10,17-18,21,27H,11-16,19-20H2,1-2H3/t21-,27+/m0/s1
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| InChIKey |
MZINAXOPBUWVQD-KDYSTLNUSA-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