General Information of the Compound
| Compound ID |
CP0964866
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| Compound Name |
(R)-N-(1-Acryloylpyrrolidin-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 |
C26H28N6O3S
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| Molecular Weight |
504.616
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| Canonical SMILES |
C=CC(=O)N1CC[C@@H](NC(=O)c2sc3nccc4c3c2NC(=O)N4c2cnc(CC(C)C)cc2C)C1
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| InChI |
InChI=1S/C26H28N6O3S/c1-5-20(33)31-9-7-16(13-31)29-24(34)23-22-21-18(6-8-27-25(21)36-23)32(26(35)30-22)19-12-28-17(10-14(2)3)11-15(19)4/h5-6,8,11-12,14,16H,1,7,9-10,13H2,2-4H3,(H,29,34)(H,30,35)/t16-/m1/s1
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| InChIKey |
FTHCVNGUYVVBMS-MRXNPFEDSA-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