General Information of the Compound
| Compound ID |
CP0390241
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| Compound Name |
US8912224, 304
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| Structure |
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| Formula |
C28H27N3O3S
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| Molecular Weight |
485.609
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| Canonical SMILES |
N[C@@H](Cc1ccccc1)C(=O)NCc1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C28H27N3O3S/c29-24(15-19-7-3-1-4-8-19)27(32)30-17-23-18-31-28(35-23)33-22-12-14-26-21(16-22)11-13-25(34-26)20-9-5-2-6-10-20/h1-10,12,14,16,18,24-25H,11,13,15,17,29H2,(H,30,32)/t24-,25-/m0/s1
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| InChIKey |
YBSAEUDDNNBOGP-DQEYMECFSA-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