General Information of the Compound
| Compound ID |
CP0495100
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| Compound Name |
(1-Benzyl-2-methoxy-ethyl)-[3-(6-dimethylamino-4-methyl-pyridin-3-yl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-amine
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| Structure |
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| Formula |
C26H32N6O
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| Molecular Weight |
444.583
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| Canonical SMILES |
COCC(Cc1ccccc1)Nc1cc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C
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| InChI |
InChI=1S/C26H32N6O/c1-17-12-23(31(4)5)27-15-22(17)25-19(3)30-32-24(13-18(2)28-26(25)32)29-21(16-33-6)14-20-10-8-7-9-11-20/h7-13,15,21,29H,14,16H2,1-6H3
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| InChIKey |
JWBCFGCTAKNTSW-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