General Information of the Compound
| Compound ID |
CP0291421
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| Compound Name |
4-(4-(6-((4-methylpiperazin-1-yl)methyl)-1,4-dihydroindeno-[1,2-c]pyrazol-3-yl)thiophen-2-yl)but-3-yn-1-ol
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| Structure |
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| Formula |
C24H26N4OS
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| Molecular Weight |
418.566
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| Canonical SMILES |
CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCCO)c2)CC1
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| InChI |
InChI=1S/C24H26N4OS/c1-27-7-9-28(10-8-27)15-17-5-6-21-18(12-17)14-22-23(25-26-24(21)22)19-13-20(30-16-19)4-2-3-11-29/h5-6,12-13,16,29H,3,7-11,14-15H2,1H3,(H,25,26)
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| InChIKey |
VCMXVHQEQPEFNQ-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