General Information of the Compound
| Compound ID |
CP0942191
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| Compound Name |
(S)-2-(4-(5-((((R)-2-((R)-1-(N-((2-aminobenzoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)-2-(carboxymethoxy)benzamido)succinic acid
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| Structure |
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| Formula |
C37H43N5O14
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| Molecular Weight |
781.772
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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)c1ccccc1N
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| InChI |
InChI=1S/C37H43N5O14/c1-3-5-6-10-23(27(4-2)42(20-43)56-37(53)22-9-7-8-11-25(22)38)33(48)39-19-40-35(50)29-15-14-28(55-29)21-12-13-24(30(16-21)54-18-32(46)47)34(49)41-26(36(51)52)17-31(44)45/h7-9,11-16,20,23,26-27H,3-6,10,17-19,38H2,1-2H3,(H,39,48)(H,40,50)(H,41,49)(H,44,45)(H,46,47)(H,51,52)/t23-,26+,27-/m1/s1
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| InChIKey |
XQXXMXKIOLVKCL-DURWQBQJSA-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