General Information of the Compound
| Compound ID |
CP0176284
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| Compound Name |
4-[4-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-1-(7-fluoro-2-methylindazol-5-yl)-5-methylimidazol-2-yl]-2-fluorobenzonitrile
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| Structure |
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| Formula |
C26H25F2N7O
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| Molecular Weight |
489.53
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| Canonical SMILES |
CN(C)[C@H]1CCN(C1)C(=O)c1nc(-c2ccc(C#N)c(F)c2)n(c1C)-c1cc(F)c2nn(C)cc2c1
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| InChI |
InChI=1S/C26H25F2N7O/c1-15-23(26(36)34-8-7-19(14-34)32(2)3)30-25(16-5-6-17(12-29)21(27)10-16)35(15)20-9-18-13-33(4)31-24(18)22(28)11-20/h5-6,9-11,13,19H,7-8,14H2,1-4H3/t19-/m0/s1
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| InChIKey |
UOAGHSGZZDCNBF-IBGZPJMESA-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