General Information of the Compound
| Compound ID |
CP0404310
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| Compound Name |
(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2,19-dimethoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[16.5.3.12,5.021,25]heptacosa-1(24),18,20,22,25-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 |
COc1cc2ccc3cc2cc1CCCCCCCOC(=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/C40H54N4O9S/c1-7-28-22-40(28,36(47)43-54(49,50)30-16-17-30)42-34(45)31-23-39(52-6)24-44(31)35(46)33(38(2,3)4)41-37(48)53-18-12-10-8-9-11-13-26-19-27-20-29(39)15-14-25(27)21-32(26)51-5/h7,14-15,19-21,28,30-31,33H,1,8-13,16-18,22-24H2,2-6H3,(H,41,48)(H,42,45)(H,43,47)/t28-,31+,33-,39+,40-/m1/s1
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| InChIKey |
PBPWQAQNGLEABM-ZRNVCZGZSA-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