General Information of the Compound
| Compound ID |
CP0427723
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| Compound Name |
(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2,18-dimethoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17,19,21,24-pentaene-4-carboxamide
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| Structure |
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| Formula |
C40H54N4O9S
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| Molecular Weight |
766.958
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| Canonical SMILES |
COc1cc2ccc3cc2cc1CCCCCCOC(=O)N[C@H](C(=O)N1C[C@]3(C[C@H]1C(=O)N[C@@]1(C[C@H]1C1CC1)C(=O)NS(=O)(=O)C1CC1)OC)C(C)(C)C
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| InChI |
InChI=1S/C40H54N4O9S/c1-38(2,3)33-35(46)44-23-39(52-5,22-31(44)34(45)42-40(21-30(40)24-11-12-24)36(47)43-54(49,50)29-15-16-29)28-14-13-25-20-32(51-4)26(18-27(25)19-28)10-8-6-7-9-17-53-37(48)41-33/h13-14,18-20,24,29-31,33H,6-12,15-17,21-23H2,1-5H3,(H,41,48)(H,42,45)(H,43,47)/t30-,31-,33+,39-,40+/m0/s1
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| InChIKey |
FEUQIHXVXCDEEI-KNJYKZIBSA-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