General Information of the Compound
| Compound ID |
CP0249763
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| Compound Name |
US9266835, 122
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| Structure |
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| Formula |
C34H29Cl2N3O5S
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| Molecular Weight |
662.595
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| Canonical SMILES |
OC(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1cc(=O)[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C34H29Cl2N3O5S/c35-25-8-1-21(2-9-25)33(22-3-10-26(36)11-4-22)24-7-14-30-29(19-24)31(20-32(40)38-30)37-27-15-17-39(18-16-27)45(43,44)28-12-5-23(6-13-28)34(41)42/h1-14,19-20,27,33H,15-18H2,(H,41,42)(H2,37,38,40)
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| InChIKey |
OXKAVYPRBLGQQJ-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