General Information of the Compound
| Compound ID |
CP0553320
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| Compound Name |
4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-pyridazin-3-ylbenzamide
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| Formula |
C27H27FN8O3
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| Molecular Weight |
530.564
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| Canonical SMILES |
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cccnn2)c2c(N)nccn12
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| InChI |
InChI=1S/C27H27FN8O3/c1-27(14-39-15-27)26(38)35-10-3-4-17(13-35)24-33-21(22-23(29)30-9-11-36(22)24)18-7-6-16(12-19(18)28)25(37)32-20-5-2-8-31-34-20/h2,5-9,11-12,17H,3-4,10,13-15H2,1H3,(H2,29,30)(H,32,34,37)/t17-/m1/s1
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| InChIKey |
OCYOMKXZQVSNDK-QGZVFWFLSA-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