General Information of the Compound
| Compound ID |
CP0968049
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| Compound Name |
(R)-N-(1-Acryloylpiperidin-3-yl)-4-oxo-5-(5-phenoxypyridin-2-yl)-4,5-dihydro-3H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide
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| Structure |
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| Formula |
C28H24N6O4S
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| Molecular Weight |
540.605
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| Canonical SMILES |
C=CC(=O)N1CCC[C@@H](NC(=O)c2sc3nccc4c3c2NC(=O)N4c2ccc(Oc3ccccc3)cn2)C1
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| InChI |
InChI=1S/C28H24N6O4S/c1-2-22(35)33-14-6-7-17(16-33)31-26(36)25-24-23-20(12-13-29-27(23)39-25)34(28(37)32-24)21-11-10-19(15-30-21)38-18-8-4-3-5-9-18/h2-5,8-13,15,17H,1,6-7,14,16H2,(H,31,36)(H,32,37)/t17-/m1/s1
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| InChIKey |
MFTJBUNPOFWPMH-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