General Information of the Compound
| Compound ID |
CP0886407
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| Compound Name |
3-(pyrrolidin-1-yl)propyl 4-chlorophenethylcarbamimidothioate hydrochloride
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| Structure |
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| Formula |
C16H25Cl2N3S
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| Molecular Weight |
362.37
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| Canonical SMILES |
Cl.N=C(NCCc1ccc(Cl)cc1)SCCCN1CCCC1
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| InChI |
InChI=1S/C16H24ClN3S.ClH/c17-15-6-4-14(5-7-15)8-9-19-16(18)21-13-3-12-20-10-1-2-11-20;/h4-7H,1-3,8-13H2,(H2,18,19);1H
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| InChIKey |
XXEGDHKOYNEGQG-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