General Information of the Compound
| Compound ID |
CP0421636
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| Compound Name |
1-cyano-2-(3,3-diphenylpropyl)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
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| Structure |
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| Formula |
C24H28N6S
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| Molecular Weight |
432.597
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| Canonical SMILES |
Cc1nc[nH]c1CSCCN=C(NCCC(c1ccccc1)c1ccccc1)NC#N
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| InChI |
InChI=1S/C24H28N6S/c1-19-23(30-18-29-19)16-31-15-14-27-24(28-17-25)26-13-12-22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,18,22H,12-16H2,1H3,(H,29,30)(H2,26,27,28)
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| InChIKey |
PONRMGFNMBCHOU-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