General Information of the Compound
| Compound ID |
CP0569942
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| Compound Name |
(6S)-2-amino-6-(3-anilino-2-chlorophenyl)-6-methyl-3-(oxan-4-yl)-5H-pyrimidin-4-one
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| Structure |
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| Formula |
C22H25ClN4O2
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| Molecular Weight |
412.921
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| Canonical SMILES |
C[C@]1(CC(=O)N(C2CCOCC2)C(=N)N1)c1cccc(Nc2ccccc2)c1Cl
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| InChI |
InChI=1S/C22H25ClN4O2/c1-22(14-19(28)27(21(24)26-22)16-10-12-29-13-11-16)17-8-5-9-18(20(17)23)25-15-6-3-2-4-7-15/h2-9,16,25H,10-14H2,1H3,(H2,24,26)/t22-/m0/s1
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| InChIKey |
XPWMQRABBPYMQE-QFIPXVFZSA-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