General Information of the Compound
| Compound ID |
CP0938219
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| Compound Name |
(S)-2-(2-(carboxymethoxy)-4-(5-((((R)-2-((R)-1-(N-((4-methoxy-2-methylbenzoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)succinic acid, triammonia salt
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| Structure |
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| Formula |
C39H55N7O15
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| Molecular Weight |
861.903
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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)cc1C.N.N.N
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| InChI |
InChI=1S/C39H46N4O15.3H3N/c1-5-7-8-9-26(29(6-2)43(21-44)58-39(54)25-13-11-24(55-4)16-22(25)3)35(49)40-20-41-37(51)31-15-14-30(57-31)23-10-12-27(32(17-23)56-19-34(47)48)36(50)42-28(38(52)53)18-33(45)46;;;/h10-17,21,26,28-29H,5-9,18-20H2,1-4H3,(H,40,49)(H,41,51)(H,42,50)(H,45,46)(H,47,48)(H,52,53);3*1H3/t26-,28+,29-;;;/m1.../s1
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| InChIKey |
GDGGPBXALQRMMT-AZGAHNTISA-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