General Information of the Compound
| Compound ID |
CP0730463
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| Compound Name |
SID24782122
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| Structure |
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| Formula |
C18H17IN2
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| Molecular Weight |
388.252
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| Canonical SMILES |
Cc1cc2[nH]c3c(c[n+](C)c4ccccc34)c2cc1C.[I-]
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| InChI |
InChI=1S/C18H16N2.HI/c1-11-8-14-15-10-20(3)17-7-5-4-6-13(17)18(15)19-16(14)9-12(11)2;/h4-10H,1-3H3;1H
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| InChIKey |
XOPOYECQYINKEO-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: PT01214, Tyrosine-protein kinase JAK2