General Information of the Compound
| Compound ID |
CP0094685
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| Compound Name |
(7S,8R,11S)-8-[3-(3,5-Bis-trifluoromethyl-phenyl)-propyl]-9-oxo-2-oxa-10-aza-bicyclo[11.2.2]heptadeca-1(16),13(17),14-triene-7,11-dicarboxylic acid 7-hydroxyamide 11-methylamide
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| Structure |
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| Formula |
C29H33F6N3O5
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| Molecular Weight |
617.587
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| Canonical SMILES |
CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CCCc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C(=O)N1)C(=O)NO)cc2
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| InChI |
InChI=1S/C29H33F6N3O5/c1-36-27(41)24-15-17-8-10-21(11-9-17)43-12-3-2-6-23(26(40)38-42)22(25(39)37-24)7-4-5-18-13-19(28(30,31)32)16-20(14-18)29(33,34)35/h8-11,13-14,16,22-24,42H,2-7,12,15H2,1H3,(H,36,41)(H,37,39)(H,38,40)/t22-,23+,24+/m1/s1
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| InChIKey |
IXAIGCQWYVKFMN-SGNDLWITSA-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