General Information of the Compound
| Compound ID |
CP0474375
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| Compound Name |
5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
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| Structure |
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| Formula |
C22H16F3N5O2
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| Molecular Weight |
439.397
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| Canonical SMILES |
FC(F)(F)c1cccc(NC(=O)n2ccc3cc(Oc4ncnc5CNCc45)ccc23)c1
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| InChI |
InChI=1S/C22H16F3N5O2/c23-22(24,25)14-2-1-3-15(9-14)29-21(31)30-7-6-13-8-16(4-5-19(13)30)32-20-17-10-26-11-18(17)27-12-28-20/h1-9,12,26H,10-11H2,(H,29,31)
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| InChIKey |
MZQWCIIFQKKAQS-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