General Information of the Compound
| Compound ID |
CP0573850
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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-methoxyphenyl)methyl]acetamide
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| Structure |
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| Formula |
C30H37N9O2
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| Molecular Weight |
555.687
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| Canonical SMILES |
CCN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Nc2ccc(CC(=O)NCc3ccc(OC)cc3)cc2)n1
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| InChI |
InChI=1S/C30H37N9O2/c1-4-38-13-15-39(16-14-38)28-19-26(33-27-17-21(2)36-37-27)34-30(35-28)32-24-9-5-22(6-10-24)18-29(40)31-20-23-7-11-25(41-3)12-8-23/h5-12,17,19H,4,13-16,18,20H2,1-3H3,(H,31,40)(H3,32,33,34,35,36,37)
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| InChIKey |
JCMKNCJHJMOPJQ-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