General Information of the Compound
| Compound ID |
CP0555425
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| Compound Name |
US8901315, 74
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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)N[C@H]1CC[C@H](O)CC1
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| InChI |
InChI=1S/C19H27N3O2S/c1-12-16-11-17(18(24)20-13-7-9-15(23)10-8-13)25-19(16)22(21-12)14-5-3-2-4-6-14/h11,13-15,23H,2-10H2,1H3,(H,20,24)/t13-,15-
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| InChIKey |
SOKGISXMMUGLIT-CTYIDZIISA-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