General Information of the Compound
| Compound ID |
CP0958084
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| Compound Name |
US8901315, 208
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| Structure |
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| Formula |
C22H32N4O2S
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| Molecular Weight |
416.591
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| Canonical SMILES |
Cc1nn(C2CCCCC2)c2sc(C(=O)NC3CCC(C(=O)N(C)C)CC3)cc12
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| InChI |
InChI=1S/C22H32N4O2S/c1-14-18-13-19(29-22(18)26(24-14)17-7-5-4-6-8-17)20(27)23-16-11-9-15(10-12-16)21(28)25(2)3/h13,15-17H,4-12H2,1-3H3,(H,23,27)
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| InChIKey |
OKYQLPWJMVIOLC-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