General Information of the Compound
| Compound ID |
CP0538645
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| Compound Name |
N-heptan-4-yl-1-(4-methoxy-2-methylphenyl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C21H29N5O
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| Molecular Weight |
367.497
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| Canonical SMILES |
CCCC(CCC)Nc1nc(C)nc2n(ncc12)-c1ccc(OC)cc1C
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| InChI |
InChI=1S/C21H29N5O/c1-6-8-16(9-7-2)25-20-18-13-22-26(21(18)24-15(4)23-20)19-11-10-17(27-5)12-14(19)3/h10-13,16H,6-9H2,1-5H3,(H,23,24,25)
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| InChIKey |
IPTQJKHMFLHOJE-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