General Information of the Compound
Compound ID |
CP0444436
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Compound Name |
2-(1-ethyl-2,3-dihydroindol-6-yl)-4-(4-fluoropiperidine-1-carbonyl)-6,7-dimethoxyisoquinolin-1-one
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Structure |
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Formula |
C27H30FN3O4
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Molecular Weight |
479.552
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Canonical SMILES |
CCN1CCc2ccc(cc12)-n1cc(C(=O)N2CCC(F)CC2)c2cc(OC)c(OC)cc2c1=O
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InChI |
InChI=1S/C27H30FN3O4/c1-4-29-10-7-17-5-6-19(13-23(17)29)31-16-22(26(32)30-11-8-18(28)9-12-30)20-14-24(34-2)25(35-3)15-21(20)27(31)33/h5-6,13-16,18H,4,7-12H2,1-3H3
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InChIKey |
PVYLOQBASUWIBG-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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