General Information of the Compound
| Compound ID |
CP0268631
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| Compound Name |
4-[4-[(3S)-3-aminopyrrolidine-1-carbonyl]-5-methyl-1-(2-methylindazol-5-yl)imidazol-2-yl]-2-fluorobenzonitrile
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| Structure |
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| Formula |
C24H22FN7O
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| Molecular Weight |
443.486
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| Canonical SMILES |
Cc1c(nc(-c2ccc(C#N)c(F)c2)n1-c1ccc2nn(C)cc2c1)C(=O)N1CC[C@H](N)C1
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| InChI |
InChI=1S/C24H22FN7O/c1-14-22(24(33)31-8-7-18(27)13-31)28-23(15-3-4-16(11-26)20(25)10-15)32(14)19-5-6-21-17(9-19)12-30(2)29-21/h3-6,9-10,12,18H,7-8,13,27H2,1-2H3/t18-/m0/s1
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| InChIKey |
DMZLEBPFOCGGNB-SFHVURJKSA-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