General Information of the Compound
| Compound ID |
CP0968048
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| Compound Name |
(R)-N-(1-Acryloylpiperidin-3-yl)-5-(6-isobutyl-4-methylpyridin-3-yl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide
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| Structure |
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| Formula |
C27H30N6O3S
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| Molecular Weight |
518.643
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| Canonical SMILES |
C=CC(=O)N1CCC[C@@H](NC(=O)c2sc3nccc4c3c2NC(=O)N4c2cnc(CC(C)C)cc2C)C1
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| InChI |
InChI=1S/C27H30N6O3S/c1-5-21(34)32-10-6-7-17(14-32)30-25(35)24-23-22-19(8-9-28-26(22)37-24)33(27(36)31-23)20-13-29-18(11-15(2)3)12-16(20)4/h5,8-9,12-13,15,17H,1,6-7,10-11,14H2,2-4H3,(H,30,35)(H,31,36)/t17-/m1/s1
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| InChIKey |
WDJRRCPOLBBDDS-QGZVFWFLSA-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