General Information of the Compound
| Compound ID |
CP0920496
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| Compound Name |
(S)-N-[(1S,2R)-1-Benzyl-2-hydroxy-2-((10S,13R)-10-isopropyl-9,12-dioxo-2,5-dioxa-8,11,14-triaza-bicyclo[14.2.2]icosa-1(19),16(20),17-trien-13-yl)-ethyl]-3,3-dimethyl-2-[2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetylamino]-butyramide
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| Structure |
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| Formula |
C38H54N8O7S
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| Molecular Weight |
766.966
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| Canonical SMILES |
CC(C)[C@@H]1NC(=O)[C@@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CSc2nncn2C)C(C)(C)C)NCc2ccc(cc2)OCCOCCNC1=O
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| InChI |
InChI=1S/C38H54N8O7S/c1-24(2)30-34(49)39-16-17-52-18-19-53-27-14-12-26(13-15-27)21-40-31(35(50)44-30)32(48)28(20-25-10-8-7-9-11-25)42-36(51)33(38(3,4)5)43-29(47)22-54-37-45-41-23-46(37)6/h7-15,23-24,28,30-33,40,48H,16-22H2,1-6H3,(H,39,49)(H,42,51)(H,43,47)(H,44,50)/t28-,30-,31+,32+,33+/m0/s1
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| InChIKey |
FSQSJCNROUMWQT-BCJPODAPSA-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