General Information of the Compound
| Compound ID |
CP0529461
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| Compound Name |
US9303045, 146
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| Structure |
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| Formula |
C19H21N5O2S
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| Molecular Weight |
383.477
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| Canonical SMILES |
CN1C2COCC1CC(C2)NC(=O)c1cn(-c2nccs2)c2ncccc12
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| InChI |
InChI=1S/C19H21N5O2S/c1-23-13-7-12(8-14(23)11-26-10-13)22-18(25)16-9-24(19-21-5-6-27-19)17-15(16)3-2-4-20-17/h2-6,9,12-14H,7-8,10-11H2,1H3,(H,22,25)
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| InChIKey |
VTAGWRFJHNFESD-UHFFFAOYSA-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