General Information of the Compound
| Compound ID |
CP0495708
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| Compound Name |
1-(4-chlorophenoxy)-N-(2-(dimethylamino)ethyl)-9-(((3S,4S)-3-fluoropiperidin-4-yl)methyl)-N-methyl-9H-carbazole-3-carboxamide
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| Structure |
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| Formula |
C30H34ClFN4O2
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| Molecular Weight |
537.079
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| Canonical SMILES |
CN(C)CCN(C)C(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCNC[C@H]3F)c3ccccc3c2c1
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| InChI |
InChI=1S/C30H34ClFN4O2/c1-34(2)14-15-35(3)30(37)21-16-25-24-6-4-5-7-27(24)36(19-20-12-13-33-18-26(20)32)29(25)28(17-21)38-23-10-8-22(31)9-11-23/h4-11,16-17,20,26,33H,12-15,18-19H2,1-3H3/t20-,26+/m0/s1
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| InChIKey |
SMIKFMIKCWKYSM-RXFWQSSRSA-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