General Information of the Compound
| Compound ID |
CP0552114
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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-(1,3-thiazol-2-yl)benzamide
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| Formula |
C26H26FN7O3S
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| Molecular Weight |
535.605
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| Canonical SMILES |
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2nccs2)c2c(N)nccn12
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| InChI |
InChI=1S/C26H26FN7O3S/c1-26(13-37-14-26)24(36)33-8-2-3-16(12-33)22-31-19(20-21(28)29-6-9-34(20)22)17-5-4-15(11-18(17)27)23(35)32-25-30-7-10-38-25/h4-7,9-11,16H,2-3,8,12-14H2,1H3,(H2,28,29)(H,30,32,35)/t16-/m1/s1
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| InChIKey |
KPKSAOIFHVMUDL-MRXNPFEDSA-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