General Information of the Compound
| Compound ID |
CP0428374
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| Compound Name |
US9447038, 151
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| Structure |
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| Formula |
C27H32Cl2N2O6
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| Molecular Weight |
551.467
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| Canonical SMILES |
COc1cc(CN(CC(C)C)C(CC(O)=O)c2ccc(Cl)cc2Cl)ccc1OCCN1C(=O)CCC1=O
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| InChI |
InChI=1S/C27H32Cl2N2O6/c1-17(2)15-30(22(14-27(34)35)20-6-5-19(28)13-21(20)29)16-18-4-7-23(24(12-18)36-3)37-11-10-31-25(32)8-9-26(31)33/h4-7,12-13,17,22H,8-11,14-16H2,1-3H3,(H,34,35)
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| InChIKey |
WSZQIXJQKLWWTJ-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