General Information of the Compound
| Compound ID |
CP0349435
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| Compound Name |
N-[(1R)-1-(3-chloro-4-cyanophenyl)propyl]-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 |
C23H27ClN6O2
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| Molecular Weight |
454.962
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| Canonical SMILES |
CC[C@@H](NC(=O)N1CCc2cnc(NC3CCOCC3)nc2C1)c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C23H27ClN6O2/c1-2-20(15-3-4-16(12-25)19(24)11-15)29-23(31)30-8-5-17-13-26-22(28-21(17)14-30)27-18-6-9-32-10-7-18/h3-4,11,13,18,20H,2,5-10,14H2,1H3,(H,29,31)(H,26,27,28)/t20-/m1/s1
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| InChIKey |
CCQSGDMLTCISMB-HXUWFJFHSA-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