General Information of the Compound
| Compound ID |
CP0191263
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| Compound Name |
CHEMBL3824207
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| Formula |
C30H28Cl3N3O5
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| Molecular Weight |
616.929
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| Canonical SMILES |
CC(C)n1nc(cc1[C@H]1C[C@@](O)(C1)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl)C(O)=O
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| InChI |
InChI=1S/C30H28Cl3N3O5/c1-15(2)36-25(11-24(34-36)29(37)38)17-12-30(39,13-17)20-9-8-18(10-23(20)33)40-14-19-27(35-41-28(19)16-6-7-16)26-21(31)4-3-5-22(26)32/h3-5,8-11,15-17,39H,6-7,12-14H2,1-2H3,(H,37,38)/t17-,30+
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| InChIKey |
KHTWMUPBBFFKQN-JUYNHDIISA-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