General Information of the Compound
| Compound ID |
CP0450026
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| Compound Name |
US9212153, 145,Ex. 109
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| Structure |
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| Formula |
C26H27N3O2
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| Molecular Weight |
413.521
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| Canonical SMILES |
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)C#Cc2ccccc2)CC1
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| InChI |
InChI=1S/C26H27N3O2/c1-29-23(30)26(28-24(29)27)22-16-19(9-8-18-6-4-3-5-7-18)10-11-20(22)17-25(26)14-12-21(31-2)13-15-25/h3-7,10-11,16,21H,12-15,17H2,1-2H3,(H2,27,28)
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| InChIKey |
PJDXEGBNKFIKKI-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