General Information of the Compound
| Compound ID |
CP0893872
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| Compound Name |
[2H]-(S)-methyl 8-(3-fluorobenzyl)-2-(hydroxymethyl)-3-(6-(trifluoromethyl)pyridin-3-yl)-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 |
C24H19F4N5O3
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| Molecular Weight |
503.4522036
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| Canonical SMILES |
[2H]C([2H])(O)c1nn2c3c(cnc2c1-c1ccc(C(F)(F)F)nc1)CN[C@]3(Cc1cccc(F)c1)C(=O)OC
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| InChI |
InChI=1S/C24H19F4N5O3/c1-36-22(35)23(8-13-3-2-4-16(25)7-13)20-15(11-31-23)10-30-21-19(17(12-34)32-33(20)21)14-5-6-18(29-9-14)24(26,27)28/h2-7,9-10,31,34H,8,11-12H2,1H3/t23-/m0/s1/i12D2
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| InChIKey |
PVBQQPYTDDZWCR-VVIHLOIQSA-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