General Information of the Compound
| Compound ID |
CP0533106
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| Compound Name |
US9447038, 172
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| Structure |
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| Formula |
C27H31ClN2O5
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| Molecular Weight |
499.007
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| Canonical SMILES |
CCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)C1C(Cc2cc(Cl)ccc12)C(O)=O
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| InChI |
InChI=1S/C27H31ClN2O5/c1-3-10-29(26-21-6-5-20(28)14-19(21)15-22(26)27(33)34)16-18-4-7-23(17(2)13-18)35-12-11-30-24(31)8-9-25(30)32/h4-7,13-14,22,26H,3,8-12,15-16H2,1-2H3,(H,33,34)
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| InChIKey |
FKAIMTZSOKTZRW-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