General Information of the Compound
| Compound ID |
CP0512569
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| Compound Name |
N-(1-methylpiperidin-4-yl)-4-[4-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]benzamide
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| Structure |
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| Formula |
C35H29F3N6O2
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| Molecular Weight |
622.651
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| Canonical SMILES |
CN1CCC(CC1)NC(=O)c1ccc(cc1)-c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cn[nH]c1
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| InChI |
InChI=1S/C35H29F3N6O2/c1-43-14-12-26(13-15-43)42-34(46)22-4-2-21(3-5-22)28-9-8-27(17-30(28)35(36,37)38)44-32(45)11-7-24-18-39-31-10-6-23(16-29(31)33(24)44)25-19-40-41-20-25/h2-11,16-20,26H,12-15H2,1H3,(H,40,41)(H,42,46)
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| InChIKey |
WURCQFRYGOBDOE-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