General Information of the Compound
| Compound ID |
CP0240700
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| Compound Name |
1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-6-(trifluoromethyl)-2,3-dihydroindole
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| Structure |
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| Formula |
C22H23F3N6
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| Molecular Weight |
428.462
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| Canonical SMILES |
Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C22H23F3N6/c1-29-14-16(13-26-29)19-4-5-21(28-27-19)30-9-7-18(8-10-30)31-11-6-15-2-3-17(12-20(15)31)22(23,24)25/h2-5,12-14,18H,6-11H2,1H3
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| InChIKey |
XVMOOSRGRVWSLY-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