General Information of the Compound
| Compound ID |
CP0905718
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| Compound Name |
(R)-3-(1-ethyl-1H-pyrazol-4-yl)-N-((2-((N-hydroxyformamido)methyl)heptanamido)methyl)benzamide
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| Structure |
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| Formula |
C22H31N5O4
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| Molecular Weight |
429.521
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| Canonical SMILES |
CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1cccc(-c2ccnn2CC)c1
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| InChI |
InChI=1S/C22H31N5O4/c1-3-5-6-8-19(14-26(31)16-28)22(30)24-15-23-21(29)18-10-7-9-17(13-18)20-11-12-25-27(20)4-2/h7,9-13,16,19,31H,3-6,8,14-15H2,1-2H3,(H,23,29)(H,24,30)/t19-/m1/s1
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| InChIKey |
BGUHSDDPJKEIPS-LJQANCHMSA-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