General Information of the Compound
| Compound ID |
CP0560337
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| Compound Name |
4-[8-amino-3-[1-(3-methyloxetane-3-carbonyl)azetidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
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| Structure |
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| Formula |
C27H24F3N7O3
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| Molecular Weight |
551.529
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| Canonical SMILES |
CC1(COC1)C(=O)N1CC(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
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| InChI |
InChI=1S/C27H24F3N7O3/c1-26(13-40-14-26)25(39)36-11-17(12-36)23-35-20(21-22(31)33-8-9-37(21)23)15-2-4-16(5-3-15)24(38)34-19-10-18(6-7-32-19)27(28,29)30/h2-10,17H,11-14H2,1H3,(H2,31,33)(H,32,34,38)
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| InChIKey |
BNDVRMMWXZWPSL-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