General Information of the Compound
| Compound ID |
CP0530275
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| Compound Name |
1-(4-chlorophenoxy)-N-(2-(dimethylamino)ethyl)-9-(((3S,4S)-3-fluoropiperidin-4-yl)methyl)-9H-carbazole-3-carboxamide
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| Structure |
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| Formula |
C29H32ClFN4O2
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| Molecular Weight |
523.052
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| Canonical SMILES |
CN(C)CCNC(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCNC[C@H]3F)c3ccccc3c2c1
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| InChI |
InChI=1S/C29H32ClFN4O2/c1-34(2)14-13-33-29(36)20-15-24-23-5-3-4-6-26(23)35(18-19-11-12-32-17-25(19)31)28(24)27(16-20)37-22-9-7-21(30)8-10-22/h3-10,15-16,19,25,32H,11-14,17-18H2,1-2H3,(H,33,36)/t19-,25+/m0/s1
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| InChIKey |
LCZSVWVBTWTZNJ-UQBPGWFLSA-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