General Information of the Compound
| Compound ID |
CP0942838
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| Compound Name |
(S)-2-(2-(carboxymethoxy)-4-(5-((((R)-2-((R)-1-(N-((3,4-dimethoxybenzoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)succinic acid
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| Structure |
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| Formula |
C39H46N4O16
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| Molecular Weight |
826.809
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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)c1ccc(OC)c(OC)c1
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| InChI |
InChI=1S/C39H46N4O16/c1-5-7-8-9-24(27(6-2)43(21-44)59-39(54)23-11-13-29(55-3)32(17-23)56-4)35(49)40-20-41-37(51)30-15-14-28(58-30)22-10-12-25(31(16-22)57-19-34(47)48)36(50)42-26(38(52)53)18-33(45)46/h10-17,21,24,26-27H,5-9,18-20H2,1-4H3,(H,40,49)(H,41,51)(H,42,50)(H,45,46)(H,47,48)(H,52,53)/t24-,26+,27-/m1/s1
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| InChIKey |
DROSSWGUCJUTGL-FXVJXKIMSA-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