General Information of the Compound
| Compound ID |
CP0191251
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| Compound Name |
CHEMBL3822477
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| Formula |
C32H26Cl3N3O5
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| Molecular Weight |
638.935
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| Canonical SMILES |
Cn1nc(C(O)=O)c2ccc(cc12)[C@H]1C[C@@](O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
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| InChI |
InChI=1S/C32H26Cl3N3O5/c1-38-26-11-17(7-9-20(26)29(36-38)31(39)40)18-13-32(41,14-18)22-10-8-19(12-25(22)35)42-15-21-28(37-43-30(21)16-5-6-16)27-23(33)3-2-4-24(27)34/h2-4,7-12,16,18,41H,5-6,13-15H2,1H3,(H,39,40)/t18-,32+
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| InChIKey |
KPBBOMNCCUQQCP-MEMSOADYSA-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