General Information of the Compound
| Compound ID |
CP0873821
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| Compound Name |
N-[4-(4-chlorophenyl)butyl]-S-[3-(piperidin-1-yl)propyl]-isothiourea hydrochloride
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| Structure |
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| Formula |
C19H31Cl2N3S
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| Molecular Weight |
404.451
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| Canonical SMILES |
Cl.N=C(NCCCCc1ccc(Cl)cc1)SCCCN1CCCCC1
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| InChI |
InChI=1S/C19H30ClN3S.ClH/c20-18-10-8-17(9-11-18)7-2-3-12-22-19(21)24-16-6-15-23-13-4-1-5-14-23;/h8-11H,1-7,12-16H2,(H2,21,22);1H
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| InChIKey |
BVWNOIVCPIMQND-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