General Information of the Compound
| Compound ID |
CP0409483
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| Compound Name |
1-(4-chlorophenoxy)-N-((1-ethylpyrrolidin-2-yl)methyl)-9-(((3S,4S)-3-fluoropiperidin-4-yl)methyl)-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 |
CCN1CCCC1CNC(=O)c1cc(Oc2ccc(Cl)cc2)c2n(C[C@@H]3CCNC[C@H]3F)c3ccccc3c2c1
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| InChI |
InChI=1S/C32H36ClFN4O2/c1-2-37-15-5-6-24(37)18-36-32(39)22-16-27-26-7-3-4-8-29(26)38(20-21-13-14-35-19-28(21)34)31(27)30(17-22)40-25-11-9-23(33)10-12-25/h3-4,7-12,16-17,21,24,28,35H,2,5-6,13-15,18-20H2,1H3,(H,36,39)/t21-,24?,28+/m0/s1
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| InChIKey |
ZEVOVEIYFPOJLM-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