General Information of the Compound
| Compound ID |
CP0872465
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| Compound Name |
(S)-2-(2-ethoxy-4-(5-(((4R,5R)-5-ethyl-6-formyl-10,10-dimethyl-3,8-dioxo-4-pentyl-7,9-dioxa-2,6-diazaundecyl)carbamoyl)furan-2-yl)benzamido)succinic acid
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| Structure |
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| Formula |
C35H48N4O13
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| Molecular Weight |
732.784
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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)c2)o1)[C@@H](CC)N(C=O)OC(=O)OC(C)(C)C
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| InChI |
InChI=1S/C35H48N4O13/c1-7-10-11-12-22(25(8-2)39(20-40)52-34(48)51-35(4,5)6)30(43)36-19-37-32(45)27-16-15-26(50-27)21-13-14-23(28(17-21)49-9-3)31(44)38-24(33(46)47)18-29(41)42/h13-17,20,22,24-25H,7-12,18-19H2,1-6H3,(H,36,43)(H,37,45)(H,38,44)(H,41,42)(H,46,47)/t22-,24+,25-/m1/s1
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| InChIKey |
RTHCPFAYQSPHAZ-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