General Information of the Compound
| Compound ID |
CP0546678
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| Compound Name |
US8912224, 358
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| Structure |
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| Formula |
C25H23N3O4S
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| Molecular Weight |
461.543
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| Canonical SMILES |
Cc1cc2OC(CCc2cc1Oc1ncc(s1)C(=O)NCc1ccno1)c1ccccc1C
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| InChI |
InChI=1S/C25H23N3O4S/c1-15-5-3-4-6-19(15)20-8-7-17-12-21(16(2)11-22(17)30-20)31-25-27-14-23(33-25)24(29)26-13-18-9-10-28-32-18/h3-6,9-12,14,20H,7-8,13H2,1-2H3,(H,26,29)
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| InChIKey |
YTYGSGXYVGQSHR-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