General Information of the Compound
| Compound ID |
CP0174130
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| Compound Name |
CHEMBL3613355
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| Formula |
C35H38N2O5
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| Molecular Weight |
566.698
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| Canonical SMILES |
Cc1cccc(C)c1-c1ccc(cc1)C(=O)NCCNC(=O)c1ccc(O[C@H]2C3CC4CC2C[C@](C4)(C3)C(O)=O)cc1
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| InChI |
InChI=1S/C35H38N2O5/c1-21-4-3-5-22(2)30(21)24-6-8-25(9-7-24)32(38)36-14-15-37-33(39)26-10-12-29(13-11-26)42-31-27-16-23-17-28(31)20-35(18-23,19-27)34(40)41/h3-13,23,27-28,31H,14-20H2,1-2H3,(H,36,38)(H,37,39)(H,40,41)/t23?,27?,28?,31-,35-
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| InChIKey |
NUGYHMCKGBYXDD-CXEWCXKXSA-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