General Information of the Compound
| Compound ID |
CP0537925
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| Compound Name |
N-[5-[6-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-3-pyrrolidin-1-ylpyridin-2-yl]oxy-2-(trifluoromethyl)phenyl]prop-2-enamide
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| Structure |
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| Formula |
C31H35F3N6O3
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| Molecular Weight |
596.654
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| Canonical SMILES |
COc1cc(ccc1Nc1ccc(N2CCCC2)c(Oc2ccc(c(NC(=O)C=C)c2)C(F)(F)F)n1)N1CCN(C)CC1
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| InChI |
InChI=1S/C31H35F3N6O3/c1-4-29(41)36-25-20-22(8-9-23(25)31(32,33)34)43-30-26(40-13-5-6-14-40)11-12-28(37-30)35-24-10-7-21(19-27(24)42-3)39-17-15-38(2)16-18-39/h4,7-12,19-20H,1,5-6,13-18H2,2-3H3,(H,35,37)(H,36,41)
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| InChIKey |
DAFUUYWXBRQLNF-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