General Information of the Compound
| Compound ID |
CP0261533
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| Compound Name |
4-[8-amino-3-[(2R,5S)-4-(cyclopropanecarbonyl)-5-methylmorpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
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| Structure |
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| Formula |
C28H25F4N7O3
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| Molecular Weight |
583.546
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| Canonical SMILES |
C[C@H]1CO[C@H](CN1C(=O)C1CC1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
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| InChI |
InChI=1S/C28H25F4N7O3/c1-14-13-42-20(12-39(14)27(41)15-2-3-15)25-37-22(23-24(33)35-8-9-38(23)25)18-5-4-16(10-19(18)29)26(40)36-21-11-17(6-7-34-21)28(30,31)32/h4-11,14-15,20H,2-3,12-13H2,1H3,(H2,33,35)(H,34,36,40)/t14-,20+/m0/s1
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| InChIKey |
NKHAXSXYHDRPQO-VBKZILBWSA-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