General Information of the Compound
| Compound ID |
CP0910082
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| Compound Name |
[2H]-(S)-methyl 8-(3-fluorobenzyl)-2-(hydroxymethyl)-3-(4-(trifluoromethyl)phenyl)-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,4-e]pyrimidine-8-carboxylate
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| Structure |
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| Formula |
C25H20F4N4O3
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| Molecular Weight |
502.4642036
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| Canonical SMILES |
[2H]C([2H])(O)c1nn2c3c(cnc2c1-c1ccc(C(F)(F)F)cc1)CN[C@]3(Cc1cccc(F)c1)C(=O)OC
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| InChI |
InChI=1S/C25H20F4N4O3/c1-36-23(35)24(10-14-3-2-4-18(26)9-14)21-16(12-31-24)11-30-22-20(19(13-34)32-33(21)22)15-5-7-17(8-6-15)25(27,28)29/h2-9,11,31,34H,10,12-13H2,1H3/t24-/m0/s1/i13D2
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| InChIKey |
MWQSABYAPLDFME-JOJHBBJUSA-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