General Information of the Compound
| Compound ID |
CP0499119
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| Compound Name |
N-(dicyclopropylmethyl)-9-(4-methoxyphenyl)-2-methyl-8-(oxolan-2-yl)purin-6-amine
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| Structure |
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| Formula |
C24H29N5O2
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| Molecular Weight |
419.529
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| Canonical SMILES |
COc1ccc(cc1)-n1c(nc2c(NC(C3CC3)C3CC3)nc(C)nc12)C1CCCO1
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| InChI |
InChI=1S/C24H29N5O2/c1-14-25-22(27-20(15-5-6-15)16-7-8-16)21-24(26-14)29(17-9-11-18(30-2)12-10-17)23(28-21)19-4-3-13-31-19/h9-12,15-16,19-20H,3-8,13H2,1-2H3,(H,25,26,27)
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| InChIKey |
ZGQZTHWLDSRLAV-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