General Information of the Compound
| Compound ID |
CP0957175
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| Compound Name |
[(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]-carbamic acid tert-butyl ester
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| Structure |
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| Formula |
C32H46N4O7
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| Molecular Weight |
598.741
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| Canonical SMILES |
CC(C)[C@@H]1NC(=O)[C@@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)NCc2ccc(cc2)OCCOCCNC1=O
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| InChI |
InChI=1S/C32H46N4O7/c1-21(2)26-29(38)33-15-16-41-17-18-42-24-13-11-23(12-14-24)20-34-27(30(39)36-26)28(37)25(19-22-9-7-6-8-10-22)35-31(40)43-32(3,4)5/h6-14,21,25-28,34,37H,15-20H2,1-5H3,(H,33,38)(H,35,40)(H,36,39)/t25-,26-,27+,28+/m0/s1
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| InChIKey |
KVGCZGXPZTZUIK-YVHASNINSA-N
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| CAS |
180968-15-4
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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