General Information of the Compound
| Compound ID |
CP0056202
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| Compound Name |
N-[(1R)-1-(1H-indol-6-yl)ethyl]-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
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| Structure |
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| Formula |
C23H28N6O2
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| Molecular Weight |
420.517
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| Canonical SMILES |
C[C@@H](NC(=O)N1CCc2cnc(NC3CCOCC3)nc2C1)c1ccc2cc[nH]c2c1
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| InChI |
InChI=1S/C23H28N6O2/c1-15(17-3-2-16-4-8-24-20(16)12-17)26-23(30)29-9-5-18-13-25-22(28-21(18)14-29)27-19-6-10-31-11-7-19/h2-4,8,12-13,15,19,24H,5-7,9-11,14H2,1H3,(H,26,30)(H,25,27,28)/t15-/m1/s1
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| InChIKey |
WQZCQSZZPWAGRX-OAHLLOKOSA-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