General Information of the Compound
| Compound ID |
CP0302146
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| Compound Name |
3-[(8R)-2'-amino-1',6,6-trimethyl-5'-oxospiro[5,7-dihydronaphthalene-8,4'-imidazole]-2-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(N)=N[C@@]2(CC(C)(C)Cc3ccc(cc23)-c2cccc(c2)C#N)C1=O
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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)/t22-/m1/s1
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| InChIKey |
KITXOXOZOIMSTQ-JOCHJYFZSA-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