General Information of the Compound
| Compound ID |
CP0471169
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| Compound Name |
CHEMBL4790066
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| Formula |
C21H21ClN4O
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| Molecular Weight |
380.879
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| Canonical SMILES |
Cc1cc(no1)[C@H]1CC[C@@H](CC1)c1nnc2C3CC3c3cc(Cl)ccc3-n12
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| InChI |
InChI=1S/C21H21ClN4O/c1-11-8-18(25-27-11)12-2-4-13(5-3-12)20-23-24-21-17-10-15(17)16-9-14(22)6-7-19(16)26(20)21/h6-9,12-13,15,17H,2-5,10H2,1H3/t12-,13-,15?,17?
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| InChIKey |
AQRCKNBRGDXJSE-BHTAHFLVSA-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