General Information of the Compound
| Compound ID |
CP0387513
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| Compound Name |
1-(2-chlorophenyl)-3-(1-pyridin-2-ylethylideneamino)thiourea
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| Structure |
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| Formula |
C14H13ClN4S
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| Molecular Weight |
304.806
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| Canonical SMILES |
CC(=NNC(=S)Nc1ccccc1Cl)c1ccccn1
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| InChI |
InChI=1S/C14H13ClN4S/c1-10(12-7-4-5-9-16-12)18-19-14(20)17-13-8-3-2-6-11(13)15/h2-9H,1H3,(H2,17,19,20)
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| InChIKey |
DIAIPLSVPPGTLG-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: PT06109, Geminin
Protein ID: PT06101, Latent membrane protein 1