General Information of the Compound
| Compound ID |
CP0093532
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| Compound Name |
7-(3-Benzoyl-1-pyridin-2-ylmethyl-ureido)-heptanoic acid hydroxyamide
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| Structure |
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| Formula |
C21H26N4O4
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| Molecular Weight |
398.463
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| Canonical SMILES |
ONC(=O)CCCCCCN(Cc1ccccn1)C(=O)NC(=O)c1ccccc1
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| InChI |
InChI=1S/C21H26N4O4/c26-19(24-29)13-6-1-2-9-15-25(16-18-12-7-8-14-22-18)21(28)23-20(27)17-10-4-3-5-11-17/h3-5,7-8,10-12,14,29H,1-2,6,9,13,15-16H2,(H,24,26)(H,23,27,28)
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| InChIKey |
PKJAJLSDHXPRTC-UHFFFAOYSA-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