General Information of the Compound
| Compound ID |
CP0878697
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| Compound Name |
(S)-2-(2-(carboxymethoxy)-4-(5-((((R)-2-((R)-1-(N-((2-(methylamino)benzoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)succinic acid
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| Structure |
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| Formula |
C38H45N5O14
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| Molecular Weight |
795.799
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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)c1ccccc1NC
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| InChI |
InChI=1S/C38H45N5O14/c1-4-6-7-11-24(28(5-2)43(21-44)57-38(54)23-10-8-9-12-26(23)39-3)34(49)40-20-41-36(51)30-16-15-29(56-30)22-13-14-25(31(17-22)55-19-33(47)48)35(50)42-27(37(52)53)18-32(45)46/h8-10,12-17,21,24,27-28,39H,4-7,11,18-20H2,1-3H3,(H,40,49)(H,41,51)(H,42,50)(H,45,46)(H,47,48)(H,52,53)/t24-,27+,28-/m1/s1
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| InChIKey |
JGMHBPTWSHMBCD-FQLPYIGMSA-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