General Information of the Compound
| Compound ID |
CP0968047
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| Compound Name |
(R)-N-(1-Acryloylpiperidin-3-yl)-5-(6-(cyclopentyloxy)-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 |
C28H30N6O4S
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| Molecular Weight |
546.653
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| Canonical SMILES |
C=CC(=O)N1CCC[C@@H](NC(=O)c2sc3nccc4c3c2NC(=O)N4c2cnc(OC3CCCC3)cc2C)C1
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| InChI |
InChI=1S/C28H30N6O4S/c1-3-22(35)33-12-6-7-17(15-33)31-26(36)25-24-23-19(10-11-29-27(23)39-25)34(28(37)32-24)20-14-30-21(13-16(20)2)38-18-8-4-5-9-18/h3,10-11,13-14,17-18H,1,4-9,12,15H2,2H3,(H,31,36)(H,32,37)/t17-/m1/s1
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| InChIKey |
IMJTYLDKILAIKM-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