General Information of the Compound
| Compound ID |
CP0562746
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| Compound Name |
US8912224, 257
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| Structure |
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| Formula |
C23H23N3O3S
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| Molecular Weight |
421.522
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| Canonical SMILES |
NC1CC(C1)NC(=O)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C23H23N3O3S/c24-16-11-17(12-16)26-22(27)21-13-25-23(30-21)28-18-7-9-20-15(10-18)6-8-19(29-20)14-4-2-1-3-5-14/h1-5,7,9-10,13,16-17,19H,6,8,11-12,24H2,(H,26,27)/t16?,17?,19-/m0/s1
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| InChIKey |
SHHPUXGSYDKRDH-TVPLGVNVSA-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