General Information of the Compound
| Compound ID |
CP0478460
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| Compound Name |
US8940771, 11
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| Structure |
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| Formula |
C18H22N6O2S
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| Molecular Weight |
386.481
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| Canonical SMILES |
CC(C)(C)c1nccc(n1)-c1cnc(NC(=O)N2CC3CC3C2C(N)=O)s1
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| InChI |
InChI=1S/C18H22N6O2S/c1-18(2,3)15-20-5-4-11(22-15)12-7-21-16(27-12)23-17(26)24-8-9-6-10(9)13(24)14(19)25/h4-5,7,9-10,13H,6,8H2,1-3H3,(H2,19,25)(H,21,23,26)
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| InChIKey |
DMOPXNHLKVNOOY-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