General Information of the Compound
| Compound ID |
CP0510814
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| Compound Name |
1-(3-chloranyl-4-methoxy-phenyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]thiourea
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| Structure |
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| Formula |
C16H24ClN3OS
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| Molecular Weight |
341.908
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| Canonical SMILES |
COc1ccc(NC(=S)NCCN2CCC(C)CC2)cc1Cl
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| InChI |
InChI=1S/C16H24ClN3OS/c1-12-5-8-20(9-6-12)10-7-18-16(22)19-13-3-4-15(21-2)14(17)11-13/h3-4,11-12H,5-10H2,1-2H3,(H2,18,19,22)
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| InChIKey |
LWULRPYIMPIYQD-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
Protein ID: PT03099, Acetylcholinesterase
Protein ID: PT00820, Acetylcholinesterase
Protein ID: PT06109, Geminin