General Information of the Compound
| Compound ID |
CP0321871
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| Compound Name |
US9266835, 116
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| Structure |
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| Formula |
C35H29Cl2N3O4
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| Molecular Weight |
626.54
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| Canonical SMILES |
OC(=O)c1ccc(cc1)C(=O)N1CCC(CC1)Nc1cc(=O)[nH]c2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C35H29Cl2N3O4/c36-26-10-5-21(6-11-26)33(22-7-12-27(37)13-8-22)25-9-14-30-29(19-25)31(20-32(41)39-30)38-28-15-17-40(18-16-28)34(42)23-1-3-24(4-2-23)35(43)44/h1-14,19-20,28,33H,15-18H2,(H,43,44)(H2,38,39,41)
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| InChIKey |
HLXBZHWWDPFRAD-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