General Information of the Compound
| Compound ID |
CP0544220
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| Compound Name |
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[6-[3-(trifluoromethyl)phenyl]-1H-indazol-3-yl]amino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C29H31F3N6O2
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| Molecular Weight |
552.601
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| Canonical SMILES |
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1n[nH]c2cc(ccc12)-c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C29H31F3N6O2/c1-6-27(39)33-23-16-24(26(40-5)17-25(23)38(4)13-12-37(2)3)34-28-21-11-10-19(15-22(21)35-36-28)18-8-7-9-20(14-18)29(30,31)32/h6-11,14-17H,1,12-13H2,2-5H3,(H,33,39)(H2,34,35,36)
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| InChIKey |
QYIXKZSSLXPWRL-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