General Information of the Compound
| Compound ID |
CP0442482
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| Compound Name |
US9212153, 105,Ex. 71
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| Structure |
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| Formula |
C26H27N3O
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| Molecular Weight |
397.522
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| Canonical SMILES |
CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)C#CC1CC1
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| InChI |
InChI=1S/C26H27N3O/c1-29-24(27)28-26(30-29)23-16-19(9-8-18-6-7-18)10-11-22(23)17-25(26)14-12-20-4-2-3-5-21(20)13-15-25/h2-5,10-11,16,18H,6-7,12-15,17H2,1H3,(H2,27,28)
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| InChIKey |
NNOQOCQFMRAGCN-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