General Information of the Compound
| Compound ID |
CP0550207
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| Compound Name |
US8901315, 227
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| Structure |
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| Formula |
C19H25N3O3S
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| Molecular Weight |
375.494
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| Canonical SMILES |
Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)NC1CC[C@@H](C1)C(O)=O
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| InChI |
InChI=1S/C19H25N3O3S/c1-11-15-10-16(17(23)20-13-8-7-12(9-13)19(24)25)26-18(15)22(21-11)14-5-3-2-4-6-14/h10,12-14H,2-9H2,1H3,(H,20,23)(H,24,25)/t12-,13?/m0/s1
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| InChIKey |
QWUNGGPBLXJNDS-UEWDXFNNSA-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