General Information of the Compound
| Compound ID |
CP0541775
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| Compound Name |
1-(4-chlorophenoxy)-9-(((3S,4S)-3-fluoropiperidin-4-yl)methyl)-N-(2-(1-methylpyrrolidin-2-yl)ethyl)-9H-carbazole-3-carboxamide
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| Structure |
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| Formula |
C32H36ClFN4O2
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| Molecular Weight |
563.117
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| Canonical SMILES |
CN1CCCC1CCNC(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCNC[C@H]3F)c3ccccc3c2c1
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| InChI |
InChI=1S/C32H36ClFN4O2/c1-37-16-4-5-24(37)13-15-36-32(39)22-17-27-26-6-2-3-7-29(26)38(20-21-12-14-35-19-28(21)34)31(27)30(18-22)40-25-10-8-23(33)9-11-25/h2-3,6-11,17-18,21,24,28,35H,4-5,12-16,19-20H2,1H3,(H,36,39)/t21-,24?,28+/m0/s1
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| InChIKey |
GTXLIDBURRGFMW-QDGAEUMWSA-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