General Information of the Compound
| Compound ID |
CP0499904
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| Compound Name |
US8912224, 170
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| Structure |
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| Formula |
C27H25N3O3S
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| Molecular Weight |
471.582
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| Canonical SMILES |
Cc1nc(Oc2ccc3OC(CCc3c2)c2ccccc2)sc1C(=O)NCCc1ccncc1
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| InChI |
InChI=1S/C27H25N3O3S/c1-18-25(26(31)29-16-13-19-11-14-28-15-12-19)34-27(30-18)32-22-8-10-24-21(17-22)7-9-23(33-24)20-5-3-2-4-6-20/h2-6,8,10-12,14-15,17,23H,7,9,13,16H2,1H3,(H,29,31)
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| InChIKey |
QMMBRBZPXIRVOJ-UHFFFAOYSA-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