General Information of the Compound
| Compound ID |
CP0568337
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| Compound Name |
tert-butyl 4-[4-(4-methylpiperazin-1-yl)-3-[[6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]phenyl]benzoate
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| Structure |
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| Formula |
C29H31F3N4O4
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| Molecular Weight |
556.585
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccc(cc1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C29H31F3N4O4/c1-28(2,3)40-27(39)19-7-5-18(6-8-19)20-9-10-24(36-13-11-35(4)12-14-36)23(15-20)34-26(38)21-17-33-25(37)16-22(21)29(30,31)32/h5-10,15-17H,11-14H2,1-4H3,(H,33,37)(H,34,38)
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| InChIKey |
HATZDQFMULXBFB-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