General Information of the Compound
| Compound ID |
CP0943128
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| Compound Name |
N-[4-[(E)-2-[4-[(5-Isopropyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]ethenyl]phenyl]prop-2-enamide
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| Formula |
C26H31N7OS
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| Molecular Weight |
489.649
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| Canonical SMILES |
C=CC(=O)Nc1ccc(/C=C/c2nc(Nc3ncc(C(C)C)s3)cc(N3CCN(C)CC3)n2)cc1
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| InChI |
InChI=1S/C26H31N7OS/c1-5-25(34)28-20-9-6-19(7-10-20)8-11-22-29-23(31-26-27-17-21(35-26)18(2)3)16-24(30-22)33-14-12-32(4)13-15-33/h5-11,16-18H,1,12-15H2,2-4H3,(H,28,34)(H,27,29,30,31)/b11-8+
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| InChIKey |
OBSDXFPERVYQDL-DHZHZOJOSA-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