General Information of the Compound
| Compound ID |
CP0477890
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| Compound Name |
3-(4-methylsulfanylphenyl)pyrimido[1,2-b]indazole
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| Formula |
C17H13N3S
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| Molecular Weight |
291.379
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| Canonical SMILES |
CSc1ccc(cc1)-c1cnc2c3ccccc3nn2c1
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| InChI |
InChI=1S/C17H13N3S/c1-21-14-8-6-12(7-9-14)13-10-18-17-15-4-2-3-5-16(15)19-20(17)11-13/h2-11H,1H3
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| InChIKey |
PLFOTWGPADOSGG-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: PT00918, Amine oxidase [flavin-containing] A
Protein ID: PT01362, Amine oxidase [flavin-containing] B