General Information of the Compound
| Compound ID |
CP0874674
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| Compound Name |
4-(6-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)pyridin-2-yl)phthalic acid trifluoroacetic acid salt
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| Structure |
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| Formula |
C28H33F3N4O10
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| Molecular Weight |
642.584
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1cccc(-c2ccc(C(=O)O)c(C(=O)O)c2)n1)[C@@H](CC)N(O)C=O.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C26H32N4O8.C2HF3O2/c1-3-5-6-8-18(22(4-2)30(38)15-31)23(32)27-14-28-24(33)21-10-7-9-20(29-21)16-11-12-17(25(34)35)19(13-16)26(36)37;3-2(4,5)1(6)7/h7,9-13,15,18,22,38H,3-6,8,14H2,1-2H3,(H,27,32)(H,28,33)(H,34,35)(H,36,37);(H,6,7)/t18-,22-;/m1./s1
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| InChIKey |
YKGZPAJFRUHGBI-TVNLMDKXSA-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