General Information of the Compound
| Compound ID |
CP0545864
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| Compound Name |
(1S,2S,4R,8S,9S,11S,12R,13S,19S)-6-benzyl-12,19-difluoro-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
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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 |
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)CO
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| InChI |
InChI=1S/C30H35F2NO4/c1-27-9-8-20(35)11-23(27)24(31)12-22-21-10-19-15-33(14-18-6-4-3-5-7-18)17-29(19,26(37)16-34)28(21,2)13-25(36)30(22,27)32/h3-9,11,19,21-22,24-25,34,36H,10,12-17H2,1-2H3/t19-,21-,22-,24-,25-,27-,28-,29+,30-/m0/s1
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| InChIKey |
KICVUDSTIPHJRJ-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