General Information of the Compound
| Compound ID |
CP0422792
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| Compound Name |
(3S,4R)-3-Hydroxy-2,2-dimethyl-4-(4-methyl-2-phenylimidazol-1-yl)-chroman-6-carbonitrile
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| Structure |
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| Formula |
C22H21N3O2
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| Molecular Weight |
359.429
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| Canonical SMILES |
Cc1cn([C@H]2[C@H](O)C(C)(C)Oc3ccc(cc23)C#N)c(n1)-c1ccccc1
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| InChI |
InChI=1S/C22H21N3O2/c1-14-13-25(21(24-14)16-7-5-4-6-8-16)19-17-11-15(12-23)9-10-18(17)27-22(2,3)20(19)26/h4-11,13,19-20,26H,1-3H3/t19-,20+/m1/s1
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| InChIKey |
YMPLHFGZNFZQLU-UXHICEINSA-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