General Information of the Compound
| Compound ID |
CP0427725
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| Compound Name |
(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2,16-dimethoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[13.5.3.12,5.018,22]tetracosa-1(21),15,17,19,22-pentaene-4-carboxamide
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| Structure |
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| Formula |
C37H48N4O9S
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| Molecular Weight |
724.877
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| Canonical SMILES |
COc1cc2ccc3cc2cc1CCCCOC(=O)N[C@H](C(=O)N1C[C@]3(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)OC)C(C)(C)C
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| InChI |
InChI=1S/C37H48N4O9S/c1-7-25-19-37(25,33(44)40-51(46,47)27-13-14-27)39-31(42)28-20-36(49-6)21-41(28)32(43)30(35(2,3)4)38-34(45)50-15-9-8-10-23-16-24-17-26(36)12-11-22(24)18-29(23)48-5/h7,11-12,16-18,25,27-28,30H,1,8-10,13-15,19-21H2,2-6H3,(H,38,45)(H,39,42)(H,40,44)/t25-,28+,30-,36+,37-/m1/s1
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| InChIKey |
JLYHKCNVTQVIQC-PWVGCQFRSA-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