General Information of the Compound
| Compound ID |
CP0550420
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| Compound Name |
4-tert-butyl-N-[2-methyl-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-6-oxopyridin-3-yl]phenyl]benzamide
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| Structure |
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| Formula |
C34H40N6O2
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| Molecular Weight |
564.734
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(NC(=O)c3ccc(cc3)C(C)(C)C)c2C)nc1
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| InChI |
InChI=1S/C34H40N6O2/c1-23-28(8-7-9-29(23)37-32(41)24-10-12-26(13-11-24)34(2,3)4)25-20-30(33(42)39(6)22-25)36-31-15-14-27(21-35-31)40-18-16-38(5)17-19-40/h7-15,20-22H,16-19H2,1-6H3,(H,35,36)(H,37,41)
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| InChIKey |
HFTNEZGDPAHPNU-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