General Information of the Compound
| Compound ID |
CP0550497
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| Compound Name |
US8969325, 105
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| Structure |
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| Formula |
C22H23Cl2N3O4
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| Molecular Weight |
464.349
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| Canonical SMILES |
CCC1(CC)C[C@@H](NC(=O)Nc2ccc3OCC(=O)Nc3c2)c2ccc(Cl)c(Cl)c2O1
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| InChI |
InChI=1S/C22H23Cl2N3O4/c1-3-22(4-2)10-16(13-6-7-14(23)19(24)20(13)31-22)27-21(29)25-12-5-8-17-15(9-12)26-18(28)11-30-17/h5-9,16H,3-4,10-11H2,1-2H3,(H,26,28)(H2,25,27,29)/t16-/m1/s1
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| InChIKey |
GSRXPKWNVCIZNZ-MRXNPFEDSA-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