General Information of the Compound
| Compound ID |
CP0908995
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| Compound Name |
(13R,15S,12S)-12-(tert-butyl)-N-((1S,2R)-2-((cyclopropylsulfonyl)carbamoyl)-[1,1'-bi(cyclopropan)]-2-yl)-13,26-dimethoxy-6-methyl-10,13-dioxo-9-oxa-6,11-diaza-1(3,1)-pyrrolidina-2(2,7)-naphthalenacyclotridecaphane-15-carboxamide
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| Structure |
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| Formula |
C40H55N5O10S
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| Molecular Weight |
797.972
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| Canonical SMILES |
COc1cc2ccc3cc2cc1OCCCN(C)CCOC(=O)N[C@@H](C(C)(C)C)C(=O)N1C[C@@]3(OC)C[C@H]1C(=O)N[C@]1(C(=O)NS(=O)(=O)C2CC2)C[C@H]1C1CC1
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| InChI |
InChI=1S/C40H55N5O10S/c1-38(2,3)33-35(47)45-23-39(53-6,22-30(45)34(46)42-40(21-29(40)24-8-9-24)36(48)43-56(50,51)28-12-13-28)27-11-10-25-19-31(52-5)32(20-26(25)18-27)54-16-7-14-44(4)15-17-55-37(49)41-33/h10-11,18-20,24,28-30,33H,7-9,12-17,21-23H2,1-6H3,(H,41,49)(H,42,46)(H,43,48)/t29-,30-,33+,39-,40+/m0/s1
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| InChIKey |
GIQMNUOUWOYJCI-PPQXFSAKSA-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