General Information of the Compound
| Compound ID |
CP0924955
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| Compound Name |
rac-3-(2-Amino-1,3',3'-trimethyl-5-oxo-1,3',4',5-tetrahydro-2'Hspiro[imidazole-4,1'-naphthalene]-7'-yl)benzonitrile
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| Structure |
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| Formula |
C22H22N4O
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| Molecular Weight |
358.445
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| Canonical SMILES |
CN1C(=O)C2(CC(C)(C)Cc3ccc(-c4cccc(C#N)c4)cc32)N=C1N
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| InChI |
InChI=1S/C22H22N4O/c1-21(2)11-17-8-7-16(15-6-4-5-14(9-15)12-23)10-18(17)22(13-21)19(27)26(3)20(24)25-22/h4-10H,11,13H2,1-3H3,(H2,24,25)
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| InChIKey |
KITXOXOZOIMSTQ-UHFFFAOYSA-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