General Information of the Compound
| Compound ID |
CP0552116
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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-ethoxypyridin-2-yl)-3-fluorobenzamide
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| Formula |
C30H32FN7O4
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| Molecular Weight |
573.629
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| Canonical SMILES |
CCOc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(C4)C(=O)C4(C)COC4)n4ccnc(N)c34)c(F)c2)c1
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| InChI |
InChI=1S/C30H32FN7O4/c1-3-42-20-8-9-33-23(14-20)35-28(39)18-6-7-21(22(31)13-18)24-25-26(32)34-10-12-38(25)27(36-24)19-5-4-11-37(15-19)29(40)30(2)16-41-17-30/h6-10,12-14,19H,3-5,11,15-17H2,1-2H3,(H2,32,34)(H,33,35,39)/t19-/m1/s1
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| InChIKey |
LLZOFGDSOOWNPY-LJQANCHMSA-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