General Information of the Compound
| Compound ID |
CP0487912
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| Compound Name |
6-(4-methylpiperazin-1-yl)-N-[3-pyridin-3-yl-5-(trifluoromethoxy)phenyl]-2,3-dihydroindole-1-carboxamide
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| Structure |
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| Formula |
C26H26F3N5O2
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| Molecular Weight |
497.521
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| Canonical SMILES |
CN1CCN(CC1)c1ccc2CCN(C(=O)Nc3cc(OC(F)(F)F)cc(c3)-c3cccnc3)c2c1
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| InChI |
InChI=1S/C26H26F3N5O2/c1-32-9-11-33(12-10-32)22-5-4-18-6-8-34(24(18)16-22)25(35)31-21-13-20(19-3-2-7-30-17-19)14-23(15-21)36-26(27,28)29/h2-5,7,13-17H,6,8-12H2,1H3,(H,31,35)
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| InChIKey |
FMDMDSNTMSEFKZ-UHFFFAOYSA-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