General Information of the Compound
| Compound ID |
CP0127130
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| Compound Name |
5-[[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]oxy]-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
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| Structure |
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| Formula |
C23H18F3N5O2
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| Molecular Weight |
453.424
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| Canonical SMILES |
C[C@@H]1NCc2ncnc(Oc3ccc4n(ccc4c3)C(=O)Nc3cccc(c3)C(F)(F)F)c12
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| InChI |
InChI=1S/C23H18F3N5O2/c1-13-20-18(11-27-13)28-12-29-21(20)33-17-5-6-19-14(9-17)7-8-31(19)22(32)30-16-4-2-3-15(10-16)23(24,25)26/h2-10,12-13,27H,11H2,1H3,(H,30,32)/t13-/m0/s1
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| InChIKey |
IOYGLPLYVXPZNZ-ZDUSSCGKSA-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