General Information of the Compound
| Compound ID |
CP0864153
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| Compound Name |
(S)-2-(2-(carboxymethoxy)-4-(5-((((R)-2-((R)-1-(N-(2-methylbenzoyloxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)succinic acid
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| Structure |
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| Formula |
C38H44N4O14
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| Molecular Weight |
780.784
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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)c1ccccc1C
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| InChI |
InChI=1S/C38H44N4O14/c1-4-6-7-12-25(28(5-2)42(21-43)56-38(53)24-11-9-8-10-22(24)3)34(48)39-20-40-36(50)30-16-15-29(55-30)23-13-14-26(31(17-23)54-19-33(46)47)35(49)41-27(37(51)52)18-32(44)45/h8-11,13-17,21,25,27-28H,4-7,12,18-20H2,1-3H3,(H,39,48)(H,40,50)(H,41,49)(H,44,45)(H,46,47)(H,51,52)/t25-,27+,28-/m1/s1
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| InChIKey |
VPIJEFMCUJMKDT-FPNNDXFKSA-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