General Information of the Compound
| Compound ID |
CP0532276
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| Compound Name |
CHEMBL4645393
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| Formula |
C24H26Cl2N4O3
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| Molecular Weight |
489.403
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| Canonical SMILES |
CCOC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN)CC1)-c1cc(Cl)c(O)c(Cl)c1
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| InChI |
InChI=1S/C24H26Cl2N4O3/c1-2-33-24(32)16-12-28-20-8-7-19(14-9-17(25)23(31)18(26)10-14)30-22(20)21(16)29-15-5-3-13(11-27)4-6-15/h7-10,12-13,15,31H,2-6,11,27H2,1H3,(H,28,29)/t13-,15-
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| InChIKey |
NBMVLIXNQOYMFB-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