General Information of the Compound
| Compound ID |
CP0935666
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| Compound Name |
N-{[2-(carboxymethoxy)-4(5-{[(4R,5R)-5-ethyl-6-formyl-9,12,12-trimethyl-3,8,10-trioxo-4-pentyl-7,11-dioxa-2,6,9-triazatridec-1-yl]carbamoyl}furan-2-yl)phenyl]carbonyl}-L-aspartic acid
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| Structure |
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| Formula |
C37H49N5O16
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| Molecular Weight |
819.818
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)c(OCC(=O)O)c2)o1)[C@@H](CC)N(C=O)OC(=O)N(C)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C37H49N5O16/c1-7-9-10-11-22(25(8-2)42(20-43)58-36(54)41(6)35(53)57-37(3,4)5)31(48)38-19-39-33(50)27-15-14-26(56-27)21-12-13-23(28(16-21)55-18-30(46)47)32(49)40-24(34(51)52)17-29(44)45/h12-16,20,22,24-25H,7-11,17-19H2,1-6H3,(H,38,48)(H,39,50)(H,40,49)(H,44,45)(H,46,47)(H,51,52)/t22-,24+,25-/m1/s1
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| InChIKey |
YYUBLANOTUPTEL-PZUNEJSGSA-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
Protein ID: PT04609, Tolloid-like protein 1
Protein ID: PT06770, Tolloid-like protein 2