General Information of the Compound
| Compound ID |
CP0127137
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| Compound Name |
N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl]oxy]indole-1-carboxamide
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| Structure |
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| Formula |
C23H24N6O3
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| Molecular Weight |
432.484
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| Canonical SMILES |
C[C@@H]1NCc2ncnc(Oc3ccc4n(ccc4c3)C(=O)Nc3cc(on3)C(C)(C)C)c12
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| InChI |
InChI=1S/C23H24N6O3/c1-13-20-16(11-24-13)25-12-26-21(20)31-15-5-6-17-14(9-15)7-8-29(17)22(30)27-19-10-18(32-28-19)23(2,3)4/h5-10,12-13,24H,11H2,1-4H3,(H,27,28,30)/t13-/m0/s1
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| InChIKey |
XVEHNJMVYGBING-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