General Information of the Compound
| Compound ID |
CP0114110
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| Compound Name |
(1R,3R)-3-[8-amino-1-[4-[[4-(trifluoromethyl)pyridin-2-yl]carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-3-methyl-1-propan-2-ylcyclopentane-1-carboxylic acid
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| Structure |
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| Formula |
C29H29F3N6O3
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| Molecular Weight |
566.584
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| Canonical SMILES |
CC(C)[C@]1(CC[C@](C)(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/C29H29F3N6O3/c1-16(2)28(26(40)41)10-9-27(3,15-28)25-37-21(22-23(33)35-12-13-38(22)25)17-4-6-18(7-5-17)24(39)36-20-14-19(8-11-34-20)29(30,31)32/h4-8,11-14,16H,9-10,15H2,1-3H3,(H2,33,35)(H,40,41)(H,34,36,39)/t27-,28-/m1/s1
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| InChIKey |
DDAGGHIDQSHQBU-VSGBNLITSA-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