General Information of the Compound
| Compound ID |
CP0404088
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| Compound Name |
(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2,18-dimethoxy-12,12-dimethyl-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 |
C41H56N4O9S
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| Molecular Weight |
780.985
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| Canonical SMILES |
COc1cc2ccc3cc2cc1CCCCC(C)(C)COC(=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/c1-9-28-21-41(28,36(48)44-55(50,51)30-15-16-30)43-34(46)31-22-40(53-8)23-45(31)35(47)33(38(2,3)4)42-37(49)54-24-39(5,6)17-11-10-12-26-18-27-19-29(40)14-13-25(27)20-32(26)52-7/h9,13-14,18-20,28,30-31,33H,1,10-12,15-17,21-24H2,2-8H3,(H,42,49)(H,43,46)(H,44,48)/t28-,31+,33-,40+,41-/m1/s1
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| InChIKey |
PMPJBRQKPSKWGJ-JLOFFHGFSA-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