General Information of the Compound
| Compound ID |
CP0378734
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| Compound Name |
N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-(4-fluorophenyl)-1H-indazol-3-yl]amino]-4-methoxyphenyl]prop-2-enamide
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| Structure |
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| Formula |
C28H31FN6O2
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| Molecular Weight |
502.594
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| Canonical SMILES |
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1n[nH]c2ccc(cc12)-c1ccc(F)cc1
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| InChI |
InChI=1S/C28H31FN6O2/c1-6-27(36)30-23-16-24(26(37-5)17-25(23)35(4)14-13-34(2)3)31-28-21-15-19(9-12-22(21)32-33-28)18-7-10-20(29)11-8-18/h6-12,15-17H,1,13-14H2,2-5H3,(H,30,36)(H2,31,32,33)
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| InChIKey |
IOFPXKOUVACVHI-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