General Information of the Compound
| Compound ID |
CP0562702
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| Compound Name |
US8912224, 75
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| Structure |
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| Formula |
C30H28N4O4S
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| Molecular Weight |
540.645
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| Canonical SMILES |
O=C(NC(=O)c1ccnc(c1)N1CCCCC1)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C30H28N4O4S/c35-28(22-13-14-31-27(18-22)34-15-5-2-6-16-34)33-29(36)26-19-32-30(39-26)37-23-10-12-25-21(17-23)9-11-24(38-25)20-7-3-1-4-8-20/h1,3-4,7-8,10,12-14,17-19,24H,2,5-6,9,11,15-16H2,(H,33,35,36)/t24-/m0/s1
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| InChIKey |
YQQWTBNBPOCFTN-DEOSSOPVSA-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