General Information of the Compound
| Compound ID |
CP0562813
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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-(4-pyrazol-1-ylpyridin-2-yl)benzamide
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| Formula |
C31H30FN9O3
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| Molecular Weight |
595.639
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| Canonical SMILES |
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)-n2cccn2)c2c(N)nccn12
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| InChI |
InChI=1S/C31H30FN9O3/c1-31(17-44-18-31)30(43)39-11-2-4-20(16-39)28-38-25(26-27(33)35-10-13-40(26)28)22-6-5-19(14-23(22)32)29(42)37-24-15-21(7-9-34-24)41-12-3-8-36-41/h3,5-10,12-15,20H,2,4,11,16-18H2,1H3,(H2,33,35)(H,34,37,42)/t20-/m1/s1
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| InChIKey |
KHCPRQYCHBAKOZ-HXUWFJFHSA-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