General Information of the Compound
Compound ID |
CP0313624
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Compound Name |
4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbonyl]piperidin-3-yl}imidazo[1,5-a]pyrazin-1-yl)-N-(4-chloropyridin-2-yl)-3-fluorobenzamide
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Structure |
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Formula |
C26H23F4N7O2
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Molecular Weight |
541.509
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Canonical SMILES |
CC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
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InChI |
InChI=1S/C26H23F4N7O2/c1-14(38)36-9-2-3-16(13-36)24-35-21(22-23(31)33-8-10-37(22)24)18-5-4-15(11-19(18)27)25(39)34-20-12-17(6-7-32-20)26(28,29)30/h4-8,10-12,16H,2-3,9,13H2,1H3,(H2,31,33)(H,32,34,39)/t16-/m1/s1
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InChIKey |
VKXBHTAWXSYHEP-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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