General Information of the Compound
| Compound ID |
CP0531586
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| Compound Name |
(E)-4-(dimethylamino)-N-[[3-[4-(4-fluorophenyl)-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl]phenyl]methyl]but-2-enamide
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| Structure |
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| Formula |
C35H31FN6O
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| Molecular Weight |
570.672
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| Canonical SMILES |
CN(C)C\C=C\C(=O)NCc1cccc(c1)-c1nc(c([nH]1)-c1ccnc2[nH]c(cc12)-c1ccccc1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C35H31FN6O/c1-42(2)19-7-12-31(43)38-22-23-8-6-11-26(20-23)34-40-32(25-13-15-27(36)16-14-25)33(41-34)28-17-18-37-35-29(28)21-30(39-35)24-9-4-3-5-10-24/h3-18,20-21H,19,22H2,1-2H3,(H,37,39)(H,38,43)(H,40,41)/b12-7+
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| InChIKey |
CYUWWIBJDNHBIU-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