General Information of the Compound
| Compound ID |
CP0416845
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| Compound Name |
(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2,20-dimethoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[17.5.3.12,5.022,26]octacosa-1(25),19,21,23,26-pentaene-4-carboxamide
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| Structure |
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| Formula |
C41H56N4O9S
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| Molecular Weight |
780.985
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| Canonical SMILES |
COc1cc2ccc3cc2cc1CCCCCCCCOC(=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/C41H56N4O9S/c1-7-29-23-41(29,37(48)44-55(50,51)31-17-18-31)43-35(46)32-24-40(53-6)25-45(32)36(47)34(39(2,3)4)42-38(49)54-19-13-11-9-8-10-12-14-27-20-28-21-30(40)16-15-26(28)22-33(27)52-5/h7,15-16,20-22,29,31-32,34H,1,8-14,17-19,23-25H2,2-6H3,(H,42,49)(H,43,46)(H,44,48)/t29-,32+,34-,40+,41-/m1/s1
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| InChIKey |
OONRICXKFMZCSN-WCPAEXBBSA-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