General Information of the Compound
| Compound ID |
CP0577001
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| Compound Name |
N-[2-(4-methylpiperazin-1-yl)-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
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| Structure |
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| Formula |
C29H32F3N5O3
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| Molecular Weight |
555.601
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)-c1ccc(CN2CCOCC2)cc1
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| InChI |
InChI=1S/C29H32F3N5O3/c1-35-8-10-37(11-9-35)26-7-6-22(21-4-2-20(3-5-21)19-36-12-14-40-15-13-36)16-25(26)34-28(39)23-18-33-27(38)17-24(23)29(30,31)32/h2-7,16-18H,8-15,19H2,1H3,(H,33,38)(H,34,39)
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| InChIKey |
GQTXDUXACYMXPD-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