General Information of the Compound
| Compound ID |
CP0284803
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| Compound Name |
2'-amino-2,2,3'-trimethyl-6-(5-prop-1-ynylpyridin-3-yl)spiro[3H-chromene-4,5'-imidazole]-4'-one
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| Structure |
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| Formula |
C22H22N4O2
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| Molecular Weight |
374.444
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| Canonical SMILES |
CC#Cc1cncc(c1)-c1ccc2OC(C)(C)CC3(N=C(N)N(C)C3=O)c2c1
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| InChI |
InChI=1S/C22H22N4O2/c1-5-6-14-9-16(12-24-11-14)15-7-8-18-17(10-15)22(13-21(2,3)28-18)19(27)26(4)20(23)25-22/h7-12H,13H2,1-4H3,(H2,23,25)
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| InChIKey |
VHEAOFTYJBIZJK-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