General Information of the Compound
| Compound ID |
CP0847472
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| Compound Name |
SID92764813
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| Structure |
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| Formula |
C18H22IN3S2
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| Molecular Weight |
471.433
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| Canonical SMILES |
CSC(=Nc1ccccc1)N=C(SCc1ccccc1)N(C)C.I
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| InChI |
InChI=1S/C18H21N3S2.HI/c1-21(2)18(23-14-15-10-6-4-7-11-15)20-17(22-3)19-16-12-8-5-9-13-16;/h4-13H,14H2,1-3H3;1H
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| InChIKey |
GLYBAERSCQCHDX-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: PT06124, Paired box protein Pax-8