General Information of the Compound
| Compound ID |
CP0137523
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| Compound Name |
2-(1-cyclopentyl-4-methylazepan-4-yl)-1H-1,3-benzodiazole-4-carboxamide
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| Structure |
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| Formula |
C20H28N4O
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| Molecular Weight |
340.471
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| Canonical SMILES |
CC1(CCCN(CC1)C1CCCC1)c1nc2cccc(C(N)=O)c2[nH]1
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| InChI |
InChI=1S/C20H28N4O/c1-20(10-5-12-24(13-11-20)14-6-2-3-7-14)19-22-16-9-4-8-15(18(21)25)17(16)23-19/h4,8-9,14H,2-3,5-7,10-13H2,1H3,(H2,21,25)(H,22,23)
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| InChIKey |
ROLMPYDFIXQMOD-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