General Information of the Compound
| Compound ID |
CP0887944
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| Compound Name |
2,2'-((2-ethoxy-4-(6-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)pyridin-2-yl)benzoyl)azanediyl)diacetic acid trifluoroacetic acid salt
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| Structure |
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| Formula |
C33H42F3N5O12
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| Molecular Weight |
757.716
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1cccc(-c2ccc(C(=O)N(CC(=O)O)CC(=O)O)c(OCC)c2)n1)[C@@H](CC)N(O)C=O.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C31H41N5O10.C2HF3O2/c1-4-7-8-10-21(25(5-2)36(45)19-37)29(42)32-18-33-30(43)24-12-9-11-23(34-24)20-13-14-22(26(15-20)46-6-3)31(44)35(16-27(38)39)17-28(40)41;3-2(4,5)1(6)7/h9,11-15,19,21,25,45H,4-8,10,16-18H2,1-3H3,(H,32,42)(H,33,43)(H,38,39)(H,40,41);(H,6,7)/t21-,25-;/m1./s1
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| InChIKey |
HWXHBSBXMCZYEP-UPWLLONGSA-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