General Information of the Compound
| Compound ID |
CP0460911
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| Compound Name |
CHEMBL4632361
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| Formula |
C23H22Cl2N4O3
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| Molecular Weight |
473.36
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| Canonical SMILES |
CC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@@H](CC1)C(N)=O)-c1cc(Cl)c(O)c(Cl)c1
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| InChI |
InChI=1S/C23H22Cl2N4O3/c1-11(30)15-10-27-19-7-6-18(13-8-16(24)22(31)17(25)9-13)29-21(19)20(15)28-14-4-2-12(3-5-14)23(26)32/h6-10,12,14,31H,2-5H2,1H3,(H2,26,32)(H,27,28)/t12-,14-
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| InChIKey |
AELIZWVACJONIS-MQMHXKEQSA-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