General Information of the Compound
| Compound ID |
CP0443675
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| Compound Name |
US8629158, 28
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| Structure |
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| Formula |
C29H31N3O2
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| Molecular Weight |
453.586
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| Canonical SMILES |
CC(C)N1C2CCC1c1c(C2)n(C)c2cc(ccc12)-n1ccc(OCc2ccccc2)cc1=O
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| InChI |
InChI=1S/C29H31N3O2/c1-19(2)32-22-10-12-25(32)29-24-11-9-21(15-26(24)30(3)27(29)16-22)31-14-13-23(17-28(31)33)34-18-20-7-5-4-6-8-20/h4-9,11,13-15,17,19,22,25H,10,12,16,18H2,1-3H3
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| InChIKey |
UGRSCNWFQVTSSU-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