General Information of the Compound
| Compound ID |
CP0559951
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| Compound Name |
(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2,17-dimethoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[14.5.3.12,5.019,23]pentacosa-1(22),16,18,20,23-pentaene-4-carboxamide
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| Structure |
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| Formula |
C38H50N4O9S
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| Molecular Weight |
738.904
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| Canonical SMILES |
COc1cc2ccc3cc2cc1CCCCCOC(=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/C38H50N4O9S/c1-7-26-20-38(26,34(45)41-52(47,48)28-14-15-28)40-32(43)29-21-37(50-6)22-42(29)33(44)31(36(2,3)4)39-35(46)51-16-10-8-9-11-24-17-25-18-27(37)13-12-23(25)19-30(24)49-5/h7,12-13,17-19,26,28-29,31H,1,8-11,14-16,20-22H2,2-6H3,(H,39,46)(H,40,43)(H,41,45)/t26-,29+,31-,37+,38-/m1/s1
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| InChIKey |
AXSMYGHEHYPQSD-QTFGGGKDSA-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