General Information of the Compound
| Compound ID |
CP0427924
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| Compound Name |
(1-(4-chlorophenoxy)-9-(((3S,4S)-3-fluoropiperidin-4-yl)methyl)-9H-carbazol-3-yl)(3-(dimethylamino)pyrrolidin-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 |
CN(C)C1CCN(C1)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCNC[C@H]3F)c3ccccc3c2c1
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| InChI |
InChI=1S/C31H34ClFN4O2/c1-35(2)23-12-14-36(19-23)31(38)21-15-26-25-5-3-4-6-28(25)37(18-20-11-13-34-17-27(20)33)30(26)29(16-21)39-24-9-7-22(32)8-10-24/h3-10,15-16,20,23,27,34H,11-14,17-19H2,1-2H3/t20-,23?,27+/m0/s1
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| InChIKey |
MUFWPNXNQNHXOU-JINCXVAYSA-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