General Information of the Compound
| Compound ID |
CP0433649
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| Compound Name |
2-pentan-3-ylsulfanyl-6-piperazin-1-yl-3H-benzimidazole-5-carbonitrile
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| Structure |
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| Formula |
C17H23N5S
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| Molecular Weight |
329.473
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| Canonical SMILES |
CCC(CC)Sc1nc2cc(C#N)c(cc2[nH]1)N1CCNCC1
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| InChI |
InChI=1S/C17H23N5S/c1-3-13(4-2)23-17-20-14-9-12(11-18)16(10-15(14)21-17)22-7-5-19-6-8-22/h9-10,13,19H,3-8H2,1-2H3,(H,20,21)
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| InChIKey |
JFJIYUVKXBSGHF-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