General Information of the Compound
| Compound ID |
CP0548726
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| Compound Name |
US8912224, 275
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| Structure |
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| Formula |
C22H21N3O5S
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| Molecular Weight |
439.493
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| Canonical SMILES |
COC(=O)[C@@H](C)NC(=O)c1cnc(Oc2ccc3OC(CCc3c2)c2cccnc2)s1
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| InChI |
InChI=1S/C22H21N3O5S/c1-13(21(27)28-2)25-20(26)19-12-24-22(31-19)29-16-6-8-17-14(10-16)5-7-18(30-17)15-4-3-9-23-11-15/h3-4,6,8-13,18H,5,7H2,1-2H3,(H,25,26)/t13-,18?/m1/s1
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| InChIKey |
CSMUUHKAABTOJN-YJJYDOSJSA-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