General Information of the Compound
| Compound ID |
CP0952764
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| Compound Name |
4-[2-((R)-1-cyclohexyl-ethylamino)-3-methoxy-4-oxo-3,5,7,8-tetrahydro-4H-pyrido[4,3-d]pyrimidine-6-carbonyl]-3-fluorobenzonitrile
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| Structure |
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| Formula |
C24H28FN5O3
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| Molecular Weight |
453.518
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| Canonical SMILES |
COn1c(N[C@H](C)C2CCCCC2)nc2c(c1=O)CN(C(=O)c1ccc(C#N)cc1F)CC2
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| InChI |
InChI=1S/C24H28FN5O3/c1-15(17-6-4-3-5-7-17)27-24-28-21-10-11-29(14-19(21)23(32)30(24)33-2)22(31)18-9-8-16(13-26)12-20(18)25/h8-9,12,15,17H,3-7,10-11,14H2,1-2H3,(H,27,28)/t15-/m1/s1
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| InChIKey |
RCEFCCQGIMGHCN-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