General Information of the Compound
| Compound ID |
CP0055701
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| Compound Name |
N-[3-[4-(1H-indazol-3-ylamino)-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]oxyphenyl]propanamide
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| Structure |
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| Formula |
C25H28N8O2
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| Molecular Weight |
472.553
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| Canonical SMILES |
CCC(=O)Nc1cccc(Oc2nc(Nc3n[nH]c4ccccc34)cc(n2)N2CCN(C)CC2)c1
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| InChI |
InChI=1S/C25H28N8O2/c1-3-23(34)26-17-7-6-8-18(15-17)35-25-28-21(16-22(29-25)33-13-11-32(2)12-14-33)27-24-19-9-4-5-10-20(19)30-31-24/h4-10,15-16H,3,11-14H2,1-2H3,(H,26,34)(H2,27,28,29,30,31)
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| InChIKey |
KCNQTQGWGMNITR-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