General Information of the Compound
| Compound ID |
CP0388204
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| Compound Name |
3-[(4aS,10R,10aS)-2'-amino-1',10a-dimethyl-5'-oxospiro[1,3,4,4a-tetrahydropyrano[4,3-b]chromene-10,4'-imidazole]-8-yl]benzonitrile
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| Structure |
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| Formula |
C23H22N4O3
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| Molecular Weight |
402.454
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| Canonical SMILES |
CN1C(N)=N[C@@]2(C1=O)c1cc(ccc1O[C@H]1CCOC[C@]21C)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C23H22N4O3/c1-22-13-29-9-8-19(22)30-18-7-6-16(15-5-3-4-14(10-15)12-24)11-17(18)23(22)20(28)27(2)21(25)26-23/h3-7,10-11,19H,8-9,13H2,1-2H3,(H2,25,26)/t19-,22-,23+/m0/s1
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| InChIKey |
CUTSLGOTJVDALL-AJSBUHFISA-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