General Information of the Compound
| Compound ID |
CP0562670
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| Compound Name |
US8901315, 369
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| Formula |
C22H32N4O3S
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| Molecular Weight |
432.59
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| Canonical SMILES |
Cc1nn(C2CCOCC2)c2sc(cc12)C(=O)N[C@H]1CC[C@@H](CC1)N1CCOCC1
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| InChI |
InChI=1S/C22H32N4O3S/c1-15-19-14-20(30-22(19)26(24-15)18-6-10-28-11-7-18)21(27)23-16-2-4-17(5-3-16)25-8-12-29-13-9-25/h14,16-18H,2-13H2,1H3,(H,23,27)/t16-,17-
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| InChIKey |
YXVMCBBIZSQRRG-QAQDUYKDSA-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