General Information of the Compound
| Compound ID |
CP0562812
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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-methylpyrimidin-2-yl)benzamide
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| Formula |
C28H29FN8O3
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| Molecular Weight |
544.591
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| Canonical SMILES |
Cc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(C4)C(=O)C4(C)COC4)n4ccnc(N)c34)c(F)c2)n1
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| InChI |
InChI=1S/C28H29FN8O3/c1-16-7-8-32-27(33-16)35-25(38)17-5-6-19(20(29)12-17)21-22-23(30)31-9-11-37(22)24(34-21)18-4-3-10-36(13-18)26(39)28(2)14-40-15-28/h5-9,11-12,18H,3-4,10,13-15H2,1-2H3,(H2,30,31)(H,32,33,35,38)/t18-/m1/s1
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| InChIKey |
OSERIIFAUBIXDV-GOSISDBHSA-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