General Information of the Compound
| Compound ID |
CP0471687
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| Compound Name |
CHEMBL4782340
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| Formula |
C21H21ClN4O
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| Molecular Weight |
380.879
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| Canonical SMILES |
Clc1ccc-2c(CCc3nnc([C@H]4CC[C@@H](CC4)Oc4ccccn4)n-23)c1
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| InChI |
InChI=1S/C21H21ClN4O/c22-16-7-10-18-15(13-16)6-11-19-24-25-21(26(18)19)14-4-8-17(9-5-14)27-20-3-1-2-12-23-20/h1-3,7,10,12-14,17H,4-6,8-9,11H2/t14-,17-
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| InChIKey |
GWAFJPWGEIHPIE-CZIWCDLHSA-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