General Information of the Compound
| Compound ID |
CP0947229
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| Compound Name |
((2-ethoxy-4-(6-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)pyridin-2-yl)benzamido)methyl)phosphonic acid formic acid salt
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| Structure |
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| Formula |
C29H42N5O11P
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| Molecular Weight |
667.653
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1cccc(-c2ccc(C(=O)NCP(=O)(O)O)c(OCC)c2)n1)[C@@H](CC)N(O)C=O.O=CO
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| InChI |
InChI=1S/C28H40N5O9P.CH2O2/c1-4-7-8-10-20(24(5-2)33(38)18-34)26(35)29-16-30-28(37)23-12-9-11-22(32-23)19-13-14-21(25(15-19)42-6-3)27(36)31-17-43(39,40)41;2-1-3/h9,11-15,18,20,24,38H,4-8,10,16-17H2,1-3H3,(H,29,35)(H,30,37)(H,31,36)(H2,39,40,41);1H,(H,2,3)/t20-,24-;/m1./s1
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| InChIKey |
NIDHBFWNQJBJMO-OSMGBBKRSA-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