General Information of the Compound
| Compound ID |
CP0109554
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| Compound Name |
(7S,8R,11S)-8-(3-naphthalen-1-yl-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 |
C31H37N3O5
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| Molecular Weight |
531.653
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| Canonical SMILES |
CNC(=O)[C@@H]1Cc2ccc(OCCCC[C@@H]([C@@H](CCCc3cccc4ccccc34)C(=O)N1)C(=O)NO)cc2
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| InChI |
InChI=1S/C31H37N3O5/c1-32-31(37)28-20-21-15-17-24(18-16-21)39-19-5-4-13-27(30(36)34-38)26(29(35)33-28)14-7-11-23-10-6-9-22-8-2-3-12-25(22)23/h2-3,6,8-10,12,15-18,26-28,38H,4-5,7,11,13-14,19-20H2,1H3,(H,32,37)(H,33,35)(H,34,36)/t26-,27+,28+/m1/s1
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| InChIKey |
KAJAADJOOYZIPJ-PKTNWEFCSA-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