General Information of the Compound
| Compound ID |
CP0469631
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| Compound Name |
(1S,2S,4R,8S,9S,11S,12R,13S,19S)-N,6-dibenzyl-12,19-difluoro-11-hydroxy-9,13-dimethyl-16-oxo-6-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-8-carboxamide
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| Structure |
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| Formula |
C36H40F2N2O3
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| Molecular Weight |
586.723
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| Canonical SMILES |
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1CN(Cc3ccccc3)C[C@@]21C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C36H40F2N2O3/c1-33-14-13-26(41)16-29(33)30(37)17-28-27-15-25-21-40(20-24-11-7-4-8-12-24)22-35(25,34(27,2)18-31(42)36(28,33)38)32(43)39-19-23-9-5-3-6-10-23/h3-14,16,25,27-28,30-31,42H,15,17-22H2,1-2H3,(H,39,43)/t25-,27-,28-,30-,31-,33-,34-,35+,36-/m0/s1
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| InChIKey |
URBHWTJEDKTPDV-FFBWBZOVSA-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