General Information of the Compound
| Compound ID |
CP0453227
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| Compound Name |
N-[3-[4-(1H-indazol-3-ylamino)-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C25H26N8O
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| Molecular Weight |
454.538
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| Canonical SMILES |
CN1CCN(CC1)c1cc(Nc2n[nH]c3ccccc23)nc(n1)-c1cccc(NC(=O)C=C)c1
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| InChI |
InChI=1S/C25H26N8O/c1-3-23(34)26-18-8-6-7-17(15-18)24-27-21(16-22(29-24)33-13-11-32(2)12-14-33)28-25-19-9-4-5-10-20(19)30-31-25/h3-10,15-16H,1,11-14H2,2H3,(H,26,34)(H2,27,28,29,30,31)
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| InChIKey |
UMEGSGXZXLWQMC-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