General Information of the Compound
| Compound ID |
CP0529301
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| Compound Name |
US8629158, 26
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| Structure |
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| Formula |
C27H27N3O2
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| Molecular Weight |
425.532
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| Canonical SMILES |
CN1C2CCC1c1c(C2)n(C)c2cc(ccc12)-n1ccc(OCc2ccccc2)cc1=O
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| InChI |
InChI=1S/C27H27N3O2/c1-28-19-9-11-23(28)27-22-10-8-20(15-24(22)29(2)25(27)14-19)30-13-12-21(16-26(30)31)32-17-18-6-4-3-5-7-18/h3-8,10,12-13,15-16,19,23H,9,11,14,17H2,1-2H3
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| InChIKey |
DLDZQKDOEVDXJB-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