General Information of the Compound
| Compound ID |
CP0518321
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| Compound Name |
US8802711, 46
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| Structure |
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| Formula |
C20H22N4OS
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| Molecular Weight |
366.49
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| Canonical SMILES |
CSc1ccc(cc1)[C@H]1CCC(C1)NC(=O)Nc1cccc2[nH]ncc12
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| InChI |
InChI=1S/C20H22N4OS/c1-26-16-9-6-13(7-10-16)14-5-8-15(11-14)22-20(25)23-18-3-2-4-19-17(18)12-21-24-19/h2-4,6-7,9-10,12,14-15H,5,8,11H2,1H3,(H,21,24)(H2,22,23,25)/t14-,15?/m0/s1
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| InChIKey |
BMPPXPJQMXLRFH-MLCCFXAWSA-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