General Information of the Compound
| Compound ID |
CP0523471
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| Compound Name |
methyl (1S,2S,4R,8S,9S,11S,12R,13S,19S)-6-benzyl-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-carboxylate
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| Structure |
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| Formula |
C30H35F2NO4
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| Molecular Weight |
511.609
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| Canonical SMILES |
COC(=O)[C@@]12CN(Cc3ccccc3)C[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C
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| InChI |
InChI=1S/C30H35F2NO4/c1-27-10-9-20(34)12-23(27)24(31)13-22-21-11-19-16-33(15-18-7-5-4-6-8-18)17-29(19,26(36)37-3)28(21,2)14-25(35)30(22,27)32/h4-10,12,19,21-22,24-25,35H,11,13-17H2,1-3H3/t19-,21-,22-,24-,25-,27-,28-,29+,30-/m0/s1
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| InChIKey |
MWXMXEGVUOYLAE-FCQBLWMMSA-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