General Information of the Compound
| Compound ID |
CP0561396
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| Compound Name |
US8901315, 257
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| Structure |
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| Formula |
C19H27N3O2S
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| Molecular Weight |
361.511
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| Canonical SMILES |
Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)NC1CC[C@H](CO)C1
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| InChI |
InChI=1S/C19H27N3O2S/c1-12-16-10-17(18(24)20-14-8-7-13(9-14)11-23)25-19(16)22(21-12)15-5-3-2-4-6-15/h10,13-15,23H,2-9,11H2,1H3,(H,20,24)/t13-,14?/m0/s1
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| InChIKey |
XZJVXBUGNZHMLT-LSLKUGRBSA-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