General Information of the Compound
| Compound ID |
CP0554919
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| Compound Name |
(1R,3S)-3-N-[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]cyclopentane-1,3-diamine
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| Formula |
C17H20N6O
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| Molecular Weight |
324.388
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| Canonical SMILES |
COc1ccc(cc1)-n1ncc2cnc(N[C@H]3CC[C@@H](N)C3)nc12
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| InChI |
InChI=1S/C17H20N6O/c1-24-15-6-4-14(5-7-15)23-16-11(10-20-23)9-19-17(22-16)21-13-3-2-12(18)8-13/h4-7,9-10,12-13H,2-3,8,18H2,1H3,(H,19,21,22)/t12-,13+/m1/s1
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| InChIKey |
HYPNQYDPSSZBME-OLZOCXBDSA-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
Protein ID: PT02162, Mitogen-activated protein kinase 6