General Information of the Compound
| Compound ID |
CP0164714
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| Compound Name |
US9238644, 16
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| Structure |
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| Formula |
C27H31ClN6O
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| Molecular Weight |
491.039
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| Canonical SMILES |
CN1CCC(CC1)c1ccc(Nc2ncc(Cl)c(CCc3ccccc3C3(CC3)C(N)=O)n2)cn1
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| InChI |
InChI=1S/C27H31ClN6O/c1-34-14-10-19(11-15-34)23-9-7-20(16-30-23)32-26-31-17-22(28)24(33-26)8-6-18-4-2-3-5-21(18)27(12-13-27)25(29)35/h2-5,7,9,16-17,19H,6,8,10-15H2,1H3,(H2,29,35)(H,31,32,33)
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| InChIKey |
KSIYIAJUQCMDOR-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
Protein ID: PT00864, Vascular endothelial growth factor receptor 2
Protein ID: PT00925, Vascular endothelial growth factor receptor 3