General Information of the Compound
| Compound ID |
CP0213743
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| Compound Name |
(6S,9R,12R)-6-cyclopropyl-20-fluoro-12-[(4-fluorophenyl)methyl]-8,9-dimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(18),19,21-triene-7,10,13-trione
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| Structure |
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| Formula |
C29H36F2N4O4
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| Molecular Weight |
542.627
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| Canonical SMILES |
C[C@H]1N(C)C(=O)[C@@H](NCCOc2ccc(F)cc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC1=O)C1CC1
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| InChI |
InChI=1S/C29H36F2N4O4/c1-18-27(36)34-24(16-19-5-9-22(30)10-6-19)28(37)33-13-3-4-21-17-23(31)11-12-25(21)39-15-14-32-26(20-7-8-20)29(38)35(18)2/h5-6,9-12,17-18,20,24,26,32H,3-4,7-8,13-16H2,1-2H3,(H,33,37)(H,34,36)/t18-,24-,26+/m1/s1
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| InChIKey |
IJYGTBLRLXLFBP-UFKXBGGNSA-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