General Information of the Compound
| Compound ID |
CP0451009
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| Compound Name |
CHEMBL4784697
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| Formula |
C18H23N7O
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| Molecular Weight |
353.43
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| Canonical SMILES |
COc1ccc(cc1)-n1nnc2cnc(N[C@H]3CC[C@H](CN)CC3)nc12
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| InChI |
InChI=1S/C18H23N7O/c1-26-15-8-6-14(7-9-15)25-17-16(23-24-25)11-20-18(22-17)21-13-4-2-12(10-19)3-5-13/h6-9,11-13H,2-5,10,19H2,1H3,(H,20,21,22)/t12-,13-
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| InChIKey |
OKLYDRRAIHGZPF-JOCQHMNTSA-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