General Information of the Compound
| Compound ID |
CP0391211
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| Compound Name |
CHEMBL4633517
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| Formula |
C24H25Cl2N3O3
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| Molecular Weight |
474.388
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| Canonical SMILES |
CCOC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](C)CC1)-c1cc(Cl)c(O)c(Cl)c1
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| InChI |
InChI=1S/C24H25Cl2N3O3/c1-3-32-24(31)16-12-27-20-9-8-19(14-10-17(25)23(30)18(26)11-14)29-22(20)21(16)28-15-6-4-13(2)5-7-15/h8-13,15,30H,3-7H2,1-2H3,(H,27,28)/t13-,15-
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| InChIKey |
XHQWIJOSWKZJPX-CTYIDZIISA-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