General Information of the Compound
| Compound ID |
CP0494169
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| Compound Name |
CHEMBL4874648
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| Formula |
C20H23ClN6O2
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| Molecular Weight |
414.897
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| Canonical SMILES |
COC(=O)N[C@H]1CC[C@H](CC1)n1cc(-c2ccc(Cl)c(N)c2)c2c(N)ncnc12
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| InChI |
InChI=1S/C20H23ClN6O2/c1-29-20(28)26-12-3-5-13(6-4-12)27-9-14(11-2-7-15(21)16(22)8-11)17-18(23)24-10-25-19(17)27/h2,7-10,12-13H,3-6,22H2,1H3,(H,26,28)(H2,23,24,25)/t12-,13+
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| InChIKey |
UYXYKLOTLJDLNL-BETUJISGSA-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00864, Vascular endothelial growth factor receptor 2