General Information of the Compound
| Compound ID |
CP0488090
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| Compound Name |
(E)-4-(dimethylamino)-N-[3-[4-(1H-indazol-3-ylamino)-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]oxyphenyl]but-2-enamide
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| Structure |
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| Formula |
C28H33N9O2
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| Molecular Weight |
527.633
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| Canonical SMILES |
CN(C)C\C=C\C(=O)Nc1cccc(Oc2nc(Nc3n[nH]c4ccccc34)cc(n2)N2CCN(C)CC2)c1
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| InChI |
InChI=1S/C28H33N9O2/c1-35(2)13-7-12-26(38)29-20-8-6-9-21(18-20)39-28-31-24(19-25(32-28)37-16-14-36(3)15-17-37)30-27-22-10-4-5-11-23(22)33-34-27/h4-12,18-19H,13-17H2,1-3H3,(H,29,38)(H2,30,31,32,33,34)/b12-7+
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| InChIKey |
ADAREYJDNCHIMX-KPKJPENVSA-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