General Information of the Compound
| Compound ID |
CP0575685
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| Compound Name |
US8912224, 276
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| Structure |
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| Formula |
C23H23N3O5S
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| Molecular Weight |
453.52
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| Canonical SMILES |
CCOC(=O)[C@H](C)NC(=O)c1cnc(Oc2ccc3OC(CCc3c2)c2cccnc2)s1
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| InChI |
InChI=1S/C23H23N3O5S/c1-3-29-22(28)14(2)26-21(27)20-13-25-23(32-20)30-17-7-9-18-15(11-17)6-8-19(31-18)16-5-4-10-24-12-16/h4-5,7,9-14,19H,3,6,8H2,1-2H3,(H,26,27)/t14-,19?/m0/s1
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| InChIKey |
CCBANKMBKOBFCH-KTQQKIMGSA-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