General Information of the Compound
| Compound ID |
CP0178141
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| Compound Name |
6-chloro-2-[1-(propan-2-yl)piperidin-4-yl]-1H-1,3-benzodiazole-4-carboxamide
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| Structure |
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| Formula |
C16H21ClN4O
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| Molecular Weight |
320.824
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| Canonical SMILES |
CC(C)N1CCC(CC1)c1nc2c(cc(Cl)cc2[nH]1)C(N)=O
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| InChI |
InChI=1S/C16H21ClN4O/c1-9(2)21-5-3-10(4-6-21)16-19-13-8-11(17)7-12(15(18)22)14(13)20-16/h7-10H,3-6H2,1-2H3,(H2,18,22)(H,19,20)
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| InChIKey |
ZSACYEJSTFTIBG-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