General Information of the Compound
| Compound ID |
CP0414246
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| Compound Name |
US9187424, 180
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| Structure |
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| Formula |
C34H29F6N3O5
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| Molecular Weight |
673.61
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| Canonical SMILES |
Cc1ccc(cc1)C1=C(NC(=O)c2cc(OCc3ccccc3)no2)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C34H29F6N3O5/c1-21-8-10-23(11-9-21)26-19-32(34(38,39)40,24-12-14-25(15-13-24)46-17-5-16-33(35,36)37)42-31(45)29(26)41-30(44)27-18-28(43-48-27)47-20-22-6-3-2-4-7-22/h2-4,6-15,18H,5,16-17,19-20H2,1H3,(H,41,44)(H,42,45)
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| InChIKey |
UCWPUYSKBZAQTN-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