General Information of the Compound
| Compound ID |
CP0557805
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| Compound Name |
10-chloro-3-(4-methoxyphenyl)pyrimido[1,2-b]indazole
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| Formula |
C17H12ClN3O
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| Molecular Weight |
309.756
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| Canonical SMILES |
COc1ccc(cc1)-c1cnc2c3c(Cl)cccc3nn2c1
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| InChI |
InChI=1S/C17H12ClN3O/c1-22-13-7-5-11(6-8-13)12-9-19-17-16-14(18)3-2-4-15(16)20-21(17)10-12/h2-10H,1H3
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| InChIKey |
BXIRTMUDNXUEDJ-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