General Information of the Compound
| Compound ID |
CP0415276
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| Compound Name |
US8912224, 356
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| Structure |
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| Formula |
C24H23FN2O4S
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| Molecular Weight |
454.523
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| Canonical SMILES |
Cc1ccc(F)cc1C1CCc2cc(Oc3ncc(s3)C(=O)N3CC[C@@H](O)C3)ccc2O1
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| InChI |
InChI=1S/C24H23FN2O4S/c1-14-2-4-16(25)11-19(14)21-6-3-15-10-18(5-7-20(15)31-21)30-24-26-12-22(32-24)23(29)27-9-8-17(28)13-27/h2,4-5,7,10-12,17,21,28H,3,6,8-9,13H2,1H3/t17-,21?/m1/s1
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| InChIKey |
RDZXKONQDDTKJP-OQHSHRKDSA-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