General Information of the Compound
| Compound ID |
CP0916800
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| Compound Name |
(7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)((S)-2-(methoxymethyl)pyrrolidin-1-yl)methanone
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| Structure |
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| Formula |
C20H22Cl2N4O2
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| Molecular Weight |
421.328
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| Canonical SMILES |
COC[C@@H]1CCCN1C(=O)C1=C(C)Nc2ccnn2C1c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C20H22Cl2N4O2/c1-12-18(20(27)25-9-3-4-14(25)11-28-2)19(26-17(24-12)7-8-23-26)13-5-6-15(21)16(22)10-13/h5-8,10,14,19,24H,3-4,9,11H2,1-2H3/t14-,19?/m0/s1
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| InChIKey |
YUQIGBKAJHYJLB-KTQQKIMGSA-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