General Information of the Compound
| Compound ID |
CP0969216
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| Compound Name |
2-(4-(4-(3-Methyl-1H-pyrazol-5-ylamino)-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylamino)phenyl)-N-((S)-1-phenylethyl)acetamide
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| Structure |
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| Formula |
C29H35N9O
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| Molecular Weight |
525.661
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| Canonical SMILES |
Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Nc3ccc(CC(=O)N[C@@H](C)c4ccccc4)cc3)n2)[nH]n1
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| InChI |
InChI=1S/C29H35N9O/c1-20-17-26(36-35-20)32-25-19-27(38-15-13-37(3)14-16-38)34-29(33-25)31-24-11-9-22(10-12-24)18-28(39)30-21(2)23-7-5-4-6-8-23/h4-12,17,19,21H,13-16,18H2,1-3H3,(H,30,39)(H3,31,32,33,34,35,36)/t21-/m0/s1
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| InChIKey |
HUKBYXMOKZZMBX-NRFANRHFSA-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