General Information of the Compound
| Compound ID |
CP0577509
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| Compound Name |
2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]phenyl]-N-[(3-fluorophenyl)methyl]acetamide
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| Structure |
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| Formula |
C30H34FN9O
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| Molecular Weight |
555.662
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| Canonical SMILES |
CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)C2CC2)nc(Nc2ccc(CC(=O)NCc3cccc(F)c3)cc2)n1
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| InChI |
InChI=1S/C30H34FN9O/c1-39-11-13-40(14-12-39)28-18-26(34-27-17-25(37-38-27)22-7-8-22)35-30(36-28)33-24-9-5-20(6-10-24)16-29(41)32-19-21-3-2-4-23(31)15-21/h2-6,9-10,15,17-18,22H,7-8,11-14,16,19H2,1H3,(H,32,41)(H3,33,34,35,36,37,38)
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| InChIKey |
QNHKROVHVUXIGY-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