General Information of the Compound
| Compound ID |
CP0427810
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| Compound Name |
(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2,18-dimethoxy-13,13-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 |
C42H58N4O9S
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| Molecular Weight |
795.012
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| Canonical SMILES |
COc1cc2ccc3cc2cc1CCCC(C)(C)CCOC(=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/C42H58N4O9S/c1-39(2,3)34-36(48)46-24-41(54-7,23-32(46)35(47)44-42(22-31(42)25-10-11-25)37(49)45-56(51,52)30-14-15-30)29-13-12-26-21-33(53-6)27(19-28(26)20-29)9-8-16-40(4,5)17-18-55-38(50)43-34/h12-13,19-21,25,30-32,34H,8-11,14-18,22-24H2,1-7H3,(H,43,50)(H,44,47)(H,45,49)/t31-,32-,34+,41-,42+/m0/s1
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| InChIKey |
XWMLCUOICPXZQV-ZHJKUISPSA-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