General Information of the Compound
| Compound ID |
CP0305787
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| Compound Name |
4-(4-(3-(4-(6-((4-methylpiperazin-1-yl)methyl)-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)thiophen-2-yl)prop-2-ynyloxy)benzyl)-morpholine
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| Structure |
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| Formula |
C34H37N5O2S
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| Molecular Weight |
579.77
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| Canonical SMILES |
CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccc(CN4CCOCC4)cc3)c2)CC1
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| InChI |
InChI=1S/C34H37N5O2S/c1-37-10-12-38(13-11-37)23-26-6-9-31-27(19-26)21-32-33(35-36-34(31)32)28-20-30(42-24-28)3-2-16-41-29-7-4-25(5-8-29)22-39-14-17-40-18-15-39/h4-9,19-20,24H,10-18,21-23H2,1H3,(H,35,36)
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| InChIKey |
XFSWVFWSCPXANG-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