General Information of the Compound
| Compound ID |
CP0880539
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| Compound Name |
(S)-2-(2-(carboxymethoxy)-4-(5-((((R)-2-((R)-1-(N-(nicotinoyloxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)succinic acid
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| Structure |
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| Formula |
C36H41N5O14
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| Molecular Weight |
767.745
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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)c1cccnc1
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| InChI |
InChI=1S/C36H41N5O14/c1-3-5-6-9-23(26(4-2)41(20-42)55-36(52)22-8-7-14-37-17-22)32(47)38-19-39-34(49)28-13-12-27(54-28)21-10-11-24(29(15-21)53-18-31(45)46)33(48)40-25(35(50)51)16-30(43)44/h7-8,10-15,17,20,23,25-26H,3-6,9,16,18-19H2,1-2H3,(H,38,47)(H,39,49)(H,40,48)(H,43,44)(H,45,46)(H,50,51)/t23-,25+,26-/m1/s1
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| InChIKey |
BNAZYGXWPOFSKF-DMTNHVFBSA-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