General Information of the Compound
| Compound ID |
CP0573838
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| Compound Name |
2-[4-[[4-(4-ethylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(4-propan-2-ylphenyl)acetamide
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| Structure |
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| Formula |
C31H39N9O
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| Molecular Weight |
553.715
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| Canonical SMILES |
CCN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Nc2ccc(CC(=O)Nc3ccc(cc3)C(C)C)cc2)n1
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| InChI |
InChI=1S/C31H39N9O/c1-5-39-14-16-40(17-15-39)29-20-27(34-28-18-22(4)37-38-28)35-31(36-29)33-26-10-6-23(7-11-26)19-30(41)32-25-12-8-24(9-13-25)21(2)3/h6-13,18,20-21H,5,14-17,19H2,1-4H3,(H,32,41)(H3,33,34,35,36,37,38)
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| InChIKey |
NLZMBAXXJQITCR-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