General Information of the Compound
| Compound ID |
CP0907039
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| Compound Name |
(S)-2-(2-(carboxymethoxy)-4-(5-(((4R,5R)-5-ethyl-6-formyl-10-methyl-3,8-dioxo-4-pentyl-10-phenyl-7-oxa-2,6,9-triazaundecyl)carbamoyl)furan-2-yl)benzamido)succinic acid
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| Structure |
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| Formula |
C40H49N5O14
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| Molecular Weight |
823.853
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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)c1ccccc1
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| InChI |
InChI=1S/C40H49N5O14/c1-5-7-9-14-26(29(6-2)45(23-46)59-39(56)44-40(3,4)25-12-10-8-11-13-25)35(51)41-22-42-37(53)31-18-17-30(58-31)24-15-16-27(32(19-24)57-21-34(49)50)36(52)43-28(38(54)55)20-33(47)48/h8,10-13,15-19,23,26,28-29H,5-7,9,14,20-22H2,1-4H3,(H,41,51)(H,42,53)(H,43,52)(H,44,56)(H,47,48)(H,49,50)(H,54,55)/t26-,28+,29-/m1/s1
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| InChIKey |
WWIMIFYGLUIOSA-XNFLFYSQSA-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