General Information of the Compound
| Compound ID |
CP0544118
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| Compound Name |
US8912224, 293
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| Structure |
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| Formula |
C27H29N3O3S
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| Molecular Weight |
475.614
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| Canonical SMILES |
CNC1C2CCC(C2)C1NC(=O)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C27H29N3O3S/c1-28-24-18-7-8-19(13-18)25(24)30-26(31)23-15-29-27(34-23)32-20-10-12-22-17(14-20)9-11-21(33-22)16-5-3-2-4-6-16/h2-6,10,12,14-15,18-19,21,24-25,28H,7-9,11,13H2,1H3,(H,30,31)/t18?,19?,21-,24?,25?/m0/s1
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| InChIKey |
PEBNLDGXFRNFQR-WQWPAJEOSA-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