General Information of the Compound
| Compound ID |
CP0364436
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| Compound Name |
4-methyl-1-[2-[4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]ethyl]piperazin-2-one
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| Structure |
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| Formula |
C24H28F3N7O2
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| Molecular Weight |
503.529
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| Canonical SMILES |
CN1CCN(CCOc2ccc(cc2)C2CCN(CC2)c2ccc3nnc(n3n2)C(F)(F)F)C(=O)C1
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| InChI |
InChI=1S/C24H28F3N7O2/c1-31-12-13-33(22(35)16-31)14-15-36-19-4-2-17(3-5-19)18-8-10-32(11-9-18)21-7-6-20-28-29-23(24(25,26)27)34(20)30-21/h2-7,18H,8-16H2,1H3
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| InChIKey |
MQNMVHSNAKKOOG-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