General Information of the Compound
Compound ID |
CP0887936
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Compound Name |
(S)-2-(2-ethoxy-4-(6-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)pyridin-2-yl)benzamido)pentanedioic acid Trifluoroacetic acid salt
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Structure |
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Formula |
C34H44F3N5O12
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Molecular Weight |
771.743
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Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1cccc(-c2ccc(C(=O)N[C@@H](CCC(=O)O)C(=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/C32H43N5O10.C2HF3O2/c1-4-7-8-10-21(26(5-2)37(46)19-38)29(41)33-18-34-31(43)24-12-9-11-23(35-24)20-13-14-22(27(17-20)47-6-3)30(42)36-25(32(44)45)15-16-28(39)40;3-2(4,5)1(6)7/h9,11-14,17,19,21,25-26,46H,4-8,10,15-16,18H2,1-3H3,(H,33,41)(H,34,43)(H,36,42)(H,39,40)(H,44,45);(H,6,7)/t21-,25+,26-;/m1./s1
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InChIKey |
SGEAHARCLVOJQC-LWBIJUIXSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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