General Information of the Compound
| Compound ID |
CP0381673
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| Compound Name |
(S)-6-(6-(3-(dimethylamino)pyrrolidin-1-yl)pyridin-3-yl)-1-methyl-2-(4-(trifluoromethyl)phenyl)-1H-pyrrolo[2,3-d]pyridazin-7(6H)-one
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| Structure |
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| Formula |
C25H25F3N6O
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| Molecular Weight |
482.51
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| Canonical SMILES |
CN(C)[C@H]1CCN(C1)c1ccc(cn1)-n1ncc2cc(-c3ccc(cc3)C(F)(F)F)n(C)c2c1=O
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| InChI |
InChI=1S/C25H25F3N6O/c1-31(2)20-10-11-33(15-20)22-9-8-19(14-29-22)34-24(35)23-17(13-30-34)12-21(32(23)3)16-4-6-18(7-5-16)25(26,27)28/h4-9,12-14,20H,10-11,15H2,1-3H3/t20-/m0/s1
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| InChIKey |
NZDZGLHHMZPWFD-FQEVSTJZSA-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