General Information of the Compound
| Compound ID |
CP0533103
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| Compound Name |
US9447038, 28
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| Structure |
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| Formula |
C30H37ClN2O5
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| Molecular Weight |
541.088
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| Canonical SMILES |
CCc1cc(CN(CC2CCCC2)[C@@H](CC(O)=O)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O
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| InChI |
InChI=1S/C30H37ClN2O5/c1-2-23-17-22(7-12-27(23)38-16-15-33-28(34)13-14-29(33)35)20-32(19-21-5-3-4-6-21)26(18-30(36)37)24-8-10-25(31)11-9-24/h7-12,17,21,26H,2-6,13-16,18-20H2,1H3,(H,36,37)/t26-/m0/s1
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| InChIKey |
ZLWWAAACJPQOFS-SANMLTNESA-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