General Information of the Compound
| Compound ID |
CP0968046
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| Compound Name |
(R)-N-(1-Acryloylpiperidin-3-yl)-5-(3-methyl-5-phenoxypyridin-2-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 |
C29H26N6O4S
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| Molecular Weight |
554.632
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| Canonical SMILES |
C=CC(=O)N1CCC[C@@H](NC(=O)c2sc3nccc4c3c2NC(=O)N4c2ncc(Oc3ccccc3)cc2C)C1
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| InChI |
InChI=1S/C29H26N6O4S/c1-3-22(36)34-13-7-8-18(16-34)32-27(37)25-24-23-21(11-12-30-28(23)40-25)35(29(38)33-24)26-17(2)14-20(15-31-26)39-19-9-5-4-6-10-19/h3-6,9-12,14-15,18H,1,7-8,13,16H2,2H3,(H,32,37)(H,33,38)/t18-/m1/s1
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| InChIKey |
YHKDRHBXDSJIFI-GOSISDBHSA-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