General Information of the Compound
| Compound ID |
CP0862696
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| Compound Name |
SID92764241
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| Structure |
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| Formula |
C15H16N4S
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| Molecular Weight |
284.388
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| Canonical SMILES |
CC(=NNC(=S)Nc1ccc(C)cc1)c1ccccn1
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| InChI |
InChI=1S/C15H16N4S/c1-11-6-8-13(9-7-11)17-15(20)19-18-12(2)14-5-3-4-10-16-14/h3-10H,1-2H3,(H2,17,19,20)
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| InChIKey |
ZKSCCNZKLCCYNG-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06101, Latent membrane protein 1