General Information of the Compound
| Compound ID |
CP0532469
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| Compound Name |
(6S)-2-amino-6-[2-chloro-3-[(6-cyclopropylpyridin-3-yl)amino]phenyl]-6-methyl-3-(oxan-4-yl)-5H-pyrimidin-4-one
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| Structure |
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| Formula |
C24H28ClN5O2
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| Molecular Weight |
453.974
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| Canonical SMILES |
C[C@]1(CC(=O)N(C2CCOCC2)C(=N)N1)c1cccc(Nc2ccc(nc2)C2CC2)c1Cl
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| InChI |
InChI=1S/C24H28ClN5O2/c1-24(13-21(31)30(23(26)29-24)17-9-11-32-12-10-17)18-3-2-4-20(22(18)25)28-16-7-8-19(27-14-16)15-5-6-15/h2-4,7-8,14-15,17,28H,5-6,9-13H2,1H3,(H2,26,29)/t24-/m0/s1
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| InChIKey |
SMWXTFXZNJCTMY-DEOSSOPVSA-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