General Information of the Compound
| Compound ID |
CP0552117
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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]-N-(4-cyclopropylpyridin-2-yl)-3-fluorobenzamide
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| Formula |
C31H32FN7O3
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| Molecular Weight |
569.641
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| Canonical SMILES |
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12
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| InChI |
InChI=1S/C31H32FN7O3/c1-31(16-42-17-31)30(41)38-11-2-3-21(15-38)28-37-25(26-27(33)35-10-12-39(26)28)22-7-6-20(13-23(22)32)29(40)36-24-14-19(8-9-34-24)18-4-5-18/h6-10,12-14,18,21H,2-5,11,15-17H2,1H3,(H2,33,35)(H,34,36,40)/t21-/m1/s1
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| InChIKey |
AHBALGCZBPQHJG-OAQYLSRUSA-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