General Information of the Compound
| Compound ID |
CP0942775
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| Compound Name |
(S)-2-(2-(carboxymethoxy)-4-(5-(((4R,5R)-5-ethyl-6-formyl-10,10-dimethyl-3,8-dioxo-4-pentyl-7-oxa-2,6,9-triazaundecyl)carbamoyl)furan-2-yl)benzamido)succinic acid
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| Structure |
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| Formula |
C35H47N5O14
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| Molecular Weight |
761.782
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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)NC(C)(C)C
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| InChI |
InChI=1S/C35H47N5O14/c1-6-8-9-10-21(24(7-2)40(19-41)54-34(51)39-35(3,4)5)30(46)36-18-37-32(48)26-14-13-25(53-26)20-11-12-22(27(15-20)52-17-29(44)45)31(47)38-23(33(49)50)16-28(42)43/h11-15,19,21,23-24H,6-10,16-18H2,1-5H3,(H,36,46)(H,37,48)(H,38,47)(H,39,51)(H,42,43)(H,44,45)(H,49,50)/t21-,23+,24-/m1/s1
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| InChIKey |
OQKYXCHAWIMGIG-YFNKSVMNSA-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