General Information of the Compound
| Compound ID |
CP0965362
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| Compound Name |
(R)-N-(1-Acryloylpiperidin-3-yl)-4-oxo-5-(4-phenoxyphenyl)-4,5-dihydro-3H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide
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| Structure |
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| Formula |
C29H25N5O4S
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| Molecular Weight |
539.617
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| Canonical SMILES |
C=CC(=O)N1CCC[C@@H](NC(=O)c2sc3nccc4c3c2NC(=O)N4c2ccc(Oc3ccccc3)cc2)C1
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| InChI |
InChI=1S/C29H25N5O4S/c1-2-23(35)33-16-6-7-18(17-33)31-27(36)26-25-24-22(14-15-30-28(24)39-26)34(29(37)32-25)19-10-12-21(13-11-19)38-20-8-4-3-5-9-20/h2-5,8-15,18H,1,6-7,16-17H2,(H,31,36)(H,32,37)/t18-/m1/s1
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| InChIKey |
KOMPCIUKVGZKBN-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