General Information of the Compound
| Compound ID |
CP0081927
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| Compound Name |
(1S,3R)-3-[8-amino-1- (4-{[4- (trifluoromethyl) pyridin-2- yl]carbamoyl}phenyl) imidazo[1,5-a]pyrazin- 3-yl]-1- methylcyclopentane- carboxylic acid
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| Structure |
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| Formula |
C26H23F3N6O3
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| Molecular Weight |
524.503
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| Canonical SMILES |
C[C@@]1(CC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O
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| InChI |
InChI=1S/C26H23F3N6O3/c1-25(24(37)38)8-6-16(13-25)22-34-19(20-21(30)32-10-11-35(20)22)14-2-4-15(5-3-14)23(36)33-18-12-17(7-9-31-18)26(27,28)29/h2-5,7,9-12,16H,6,8,13H2,1H3,(H2,30,32)(H,37,38)(H,31,33,36)/t16-,25+/m1/s1
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| InChIKey |
ILAQJISJKYNNFL-CPJLOUKISA-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