General Information of the Compound
| Compound ID |
CP0319444
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| Compound Name |
4-[8-amino-3-[1-(3-methyloxetane-3-carbonyl)piperidin-4-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 |
C29H28F3N7O3
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| Molecular Weight |
579.583
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| Canonical SMILES |
CC1(COC1)C(=O)N1CCC(CC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
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| InChI |
InChI=1S/C29H28F3N7O3/c1-28(15-42-16-28)27(41)38-11-7-18(8-12-38)25-37-22(23-24(33)35-10-13-39(23)25)17-2-4-19(5-3-17)26(40)36-21-14-20(6-9-34-21)29(30,31)32/h2-6,9-10,13-14,18H,7-8,11-12,15-16H2,1H3,(H2,33,35)(H,34,36,40)
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| InChIKey |
PXGPXEYZLBZDLD-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