General Information of the Compound
| Compound ID |
CP0001791
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| Compound Name |
4-[(4S)-2-(6-ethylpyridin-2-yl)-4,5,5-trimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]phenol
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| Structure |
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| Formula |
C22H25N3O
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| Molecular Weight |
347.462
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| Canonical SMILES |
CCc1cccc(n1)-c1nn2CC(C)(C)[C@H](C)c2c1-c1ccc(O)cc1
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| InChI |
InChI=1S/C22H25N3O/c1-5-16-7-6-8-18(23-16)20-19(15-9-11-17(26)12-10-15)21-14(2)22(3,4)13-25(21)24-20/h6-12,14,26H,5,13H2,1-4H3/t14-/m1/s1
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| InChIKey |
HKUQMBLFKKCCHK-CQSZACIVSA-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