General Information of the Compound
| Compound ID |
CP0210299
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| Compound Name |
N,N-dimethyl-2-[[3-[5-(3-phenoxyprop-1-ynyl)thiophen-3-yl]-1,4-dihydroindeno[1,2-c]pyrazol-6-yl]oxy]acetamide
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| Structure |
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| Formula |
C27H23N3O3S
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| Molecular Weight |
469.566
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| Canonical SMILES |
CN(C)C(=O)COc1ccc-2c(Cc3c-2n[nH]c3-c2csc(c2)C#CCOc2ccccc2)c1
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| InChI |
InChI=1S/C27H23N3O3S/c1-30(2)25(31)16-33-21-10-11-23-18(13-21)15-24-26(28-29-27(23)24)19-14-22(34-17-19)9-6-12-32-20-7-4-3-5-8-20/h3-5,7-8,10-11,13-14,17H,12,15-16H2,1-2H3,(H,28,29)
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| InChIKey |
JXRNOMQKAQYKAL-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00864, Vascular endothelial growth factor receptor 2