General Information of the Compound
| Compound ID |
CP0955839
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| Compound Name |
(1R,3R)-N3-[3-(4-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-5-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(-c2n[nH]c3cnc(N[C@@H]4CC[C@@H](N)C4)nc23)cc1
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| InChI |
InChI=1S/C17H20N6O/c1-24-13-6-2-10(3-7-13)15-16-14(22-23-15)9-19-17(21-16)20-12-5-4-11(18)8-12/h2-3,6-7,9,11-12H,4-5,8,18H2,1H3,(H,22,23)(H,19,20,21)/t11-,12-/m1/s1
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| InChIKey |
CXDVZIYQYYSEBQ-VXGBXAGGSA-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