General Information of the Compound
| Compound ID |
CP0444596
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| Compound Name |
(3S,4R)-4-(6-Chloro-4-oxo-1,4-dihydro-quinazolin-2-ylamino)-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile
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| Structure |
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| Formula |
C20H17ClN4O3
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| Molecular Weight |
396.834
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| Canonical SMILES |
CC1(C)Oc2ccc(cc2[C@@H](Nc2nc3ccc(Cl)cc3c(=O)[nH]2)[C@@H]1O)C#N
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| InChI |
InChI=1S/C20H17ClN4O3/c1-20(2)17(26)16(13-7-10(9-22)3-6-15(13)28-20)24-19-23-14-5-4-11(21)8-12(14)18(27)25-19/h3-8,16-17,26H,1-2H3,(H2,23,24,25,27)/t16-,17+/m1/s1
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| InChIKey |
AYPWXHGLNPLZDC-SJORKVTESA-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