General Information of the Compound
| Compound ID |
CP0318712
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| Compound Name |
7-[1-(2,6-dichloro-3-fluorophenyl)but-3-enoxy]-3-(1-piperidin-4-ylpyrazol-4-yl)furo[3,2-c]pyridin-6-amine
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| Structure |
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| Formula |
C25H24Cl2FN5O2
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| Molecular Weight |
516.404
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| Canonical SMILES |
Nc1ncc2c(coc2c1OC(CC=C)c1c(Cl)ccc(F)c1Cl)-c1cnn(c1)C1CCNCC1
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| InChI |
InChI=1S/C25H24Cl2FN5O2/c1-2-3-20(21-18(26)4-5-19(28)22(21)27)35-24-23-16(11-31-25(24)29)17(13-34-23)14-10-32-33(12-14)15-6-8-30-9-7-15/h2,4-5,10-13,15,20,30H,1,3,6-9H2,(H2,29,31)
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| InChIKey |
SLOCHCSZEMKCFK-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