General Information of the Compound
| Compound ID |
CP0954577
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| Compound Name |
US8901315, 206
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| Structure |
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| Formula |
C20H29N3O2S
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| Molecular Weight |
375.538
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| Canonical SMILES |
Cc1nn(C2CCCCC2)c2sc(C(=O)NC3CCC(CO)CC3)cc12
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| InChI |
InChI=1S/C20H29N3O2S/c1-13-17-11-18(19(25)21-15-9-7-14(12-24)8-10-15)26-20(17)23(22-13)16-5-3-2-4-6-16/h11,14-16,24H,2-10,12H2,1H3,(H,21,25)
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| InChIKey |
HMRJCLIZSHNVFO-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