General Information of the Compound
| Compound ID |
CP0415284
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| Compound Name |
US8791272, 9.22
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| Structure |
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| Formula |
C29H35N3O3
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| Molecular Weight |
473.617
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| Canonical SMILES |
CCc1nn(Cc2ccc(cc2)C(=O)N[C@@H]2CCC[C@@H](C2)c2ccccc2)c(CC)c1CC(O)=O
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| InChI |
InChI=1S/C29H35N3O3/c1-3-26-25(18-28(33)34)27(4-2)32(31-26)19-20-13-15-22(16-14-20)29(35)30-24-12-8-11-23(17-24)21-9-6-5-7-10-21/h5-7,9-10,13-16,23-24H,3-4,8,11-12,17-19H2,1-2H3,(H,30,35)(H,33,34)/t23-,24+/m0/s1
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| InChIKey |
GOZQJQHOIMYFCJ-BJKOFHAPSA-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