General Information of the Compound
| Compound ID |
CP0550067
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| Compound Name |
US8629158, 30
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| Structure |
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| Formula |
C27H25N3O3
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| Molecular Weight |
439.515
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| Canonical SMILES |
CC(=O)N1C2CCC1c1c(C2)[nH]c2cc(ccc12)-n1ccc(OCc2ccccc2)cc1=O
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| InChI |
InChI=1S/C27H25N3O3/c1-17(31)30-20-8-10-25(30)27-22-9-7-19(13-23(22)28-24(27)14-20)29-12-11-21(15-26(29)32)33-16-18-5-3-2-4-6-18/h2-7,9,11-13,15,20,25,28H,8,10,14,16H2,1H3
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| InChIKey |
MAONPXLHUUFYAG-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