General Information of the Compound
| Compound ID |
CP0574903
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| Compound Name |
2-[4-[[4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]phenyl]-N-(4-propan-2-ylphenyl)acetamide
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| Structure |
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| Formula |
C33H43N9O
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| Molecular Weight |
581.769
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| Canonical SMILES |
CC(C)c1ccc(NC(=O)Cc2ccc(Nc3nc(Nc4cc(n[nH]4)C(C)(C)C)cc(n3)N3CCN(C)CC3)cc2)cc1
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| InChI |
InChI=1S/C33H43N9O/c1-22(2)24-9-13-25(14-10-24)34-31(43)19-23-7-11-26(12-8-23)35-32-37-28(36-29-20-27(39-40-29)33(3,4)5)21-30(38-32)42-17-15-41(6)16-18-42/h7-14,20-22H,15-19H2,1-6H3,(H,34,43)(H3,35,36,37,38,39,40)
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| InChIKey |
SYBJADXNBDBUMM-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