General Information of the Compound
| Compound ID |
CP0544380
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| Compound Name |
US8912224, 303
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| Structure |
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| Formula |
C22H23N3O3S
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| Molecular Weight |
409.511
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| Canonical SMILES |
C[C@H](N)C(=O)NCc1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C22H23N3O3S/c1-14(23)21(26)24-12-18-13-25-22(29-18)27-17-8-10-20-16(11-17)7-9-19(28-20)15-5-3-2-4-6-15/h2-6,8,10-11,13-14,19H,7,9,12,23H2,1H3,(H,24,26)/t14-,19-/m0/s1
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| InChIKey |
KOCKGXFQKPFZIS-LIRRHRJNSA-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