General Information of the Compound
| Compound ID |
CP0266404
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| Compound Name |
US9266835, 96
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| Structure |
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| Formula |
C30H27Cl2N3O4
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| Molecular Weight |
564.469
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| Canonical SMILES |
OC(=O)CC(=O)N1CCC(CC1)Nc1cc(=O)[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C30H27Cl2N3O4/c31-21-6-1-18(2-7-21)30(19-3-8-22(32)9-4-19)20-5-10-25-24(15-20)26(16-27(36)34-25)33-23-11-13-35(14-12-23)28(37)17-29(38)39/h1-10,15-16,23,30H,11-14,17H2,(H,38,39)(H2,33,34,36)
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| InChIKey |
DDMSAEVGTBTNAC-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