General Information of the Compound
| Compound ID |
CP0472023
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| Compound Name |
(+/-)-syn-6,7-Bis(4-chlorophenyl)-12-methyl-7,12-dihydro-6Hchromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
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| Structure |
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| Formula |
C25H18Cl2N4O
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| Molecular Weight |
461.352
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| Canonical SMILES |
CN1c2ncnn2C(C2=C1c1ccccc1OC2c1ccc(Cl)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H18Cl2N4O/c1-30-23-19-4-2-3-5-20(19)32-24(16-8-12-18(27)13-9-16)21(23)22(31-25(30)28-14-29-31)15-6-10-17(26)11-7-15/h2-14,22,24H,1H3
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| InChIKey |
TVZQVERUCXVELL-UHFFFAOYSA-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