General Information of the Compound
| Compound ID |
CP0427803
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| Compound Name |
(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2,19-dimethoxy-6,9-dioxo-13-propan-2-yl-10,17-dioxa-5,8,13-triazatetracyclo[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 |
C42H59N5O10S
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| Molecular Weight |
826.026
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| Canonical SMILES |
COc1cc2ccc3cc2cc1OCCCN(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)C(C)C
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| InChI |
InChI=1S/C42H59N5O10S/c1-25(2)46-15-8-17-56-34-21-28-19-29(12-11-27(28)20-33(34)54-6)41(55-7)23-32(47(24-41)37(49)35(40(3,4)5)43-39(51)57-18-16-46)36(48)44-42(22-31(42)26-9-10-26)38(50)45-58(52,53)30-13-14-30/h11-12,19-21,25-26,30-32,35H,8-10,13-18,22-24H2,1-7H3,(H,43,51)(H,44,48)(H,45,50)/t31-,32-,35+,41-,42+/m0/s1
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| InChIKey |
PTQVBEQIQJYQJR-NDTVTOFESA-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