General Information of the Compound
| Compound ID |
CP0538599
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| Compound Name |
US9447114, 28
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| Structure |
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| Formula |
C25H24Cl2N2O5
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| Molecular Weight |
503.382
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| Canonical SMILES |
OCCCn1c2oc(c(Cc3ccc(Cl)cc3)c2c(=O)n(CCCO)c1=O)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C25H24Cl2N2O5/c26-18-8-6-16(7-9-18)14-20-21-23(32)28(10-2-12-30)25(33)29(11-3-13-31)24(21)34-22(20)17-4-1-5-19(27)15-17/h1,4-9,15,30-31H,2-3,10-14H2
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| InChIKey |
QDUJFDOBMPRFJL-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