General Information of the Compound
| Compound ID |
CP0499975
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| Compound Name |
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-[7-[3-(trifluoromethyl)phenyl]pyrrolo[1,2-b]pyridazin-6-yl]ethanone
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| Structure |
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| Formula |
C21H20F3N3O2
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| Molecular Weight |
403.404
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| Canonical SMILES |
OC[C@H]1CCCN1C(=O)Cc1cc2cccnn2c1-c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H20F3N3O2/c22-21(23,24)16-5-1-4-14(10-16)20-15(11-17-6-2-8-25-27(17)20)12-19(29)26-9-3-7-18(26)13-28/h1-2,4-6,8,10-11,18,28H,3,7,9,12-13H2/t18-/m1/s1
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| InChIKey |
VFCNGSOOYNHGME-GOSISDBHSA-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