General Information of the Compound
| Compound ID |
CP0466476
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| Compound Name |
US8912224, 76
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| Structure |
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| Formula |
C26H23N3O4S
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| Molecular Weight |
473.554
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| Canonical SMILES |
COc1cc(ccn1)C(=O)NCc1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C26H23N3O4S/c1-31-24-14-19(11-12-27-24)25(30)28-15-21-16-29-26(34-21)32-20-8-10-23-18(13-20)7-9-22(33-23)17-5-3-2-4-6-17/h2-6,8,10-14,16,22H,7,9,15H2,1H3,(H,28,30)
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| InChIKey |
UZLMCVVBXZXYOC-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