General Information of the Compound
| Compound ID |
CP0517048
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| Compound Name |
CHEMBL4862755
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| Formula |
C21H18ClF2N3O
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| Molecular Weight |
401.844
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| Canonical SMILES |
Fc1cc2ncn([C@@H]3C[C@H]4[C@H](CNC(=O)c5ccc(Cl)cc5)[C@H]4C3)c2cc1F
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| InChI |
InChI=1S/C21H18ClF2N3O/c22-12-3-1-11(2-4-12)21(28)25-9-16-14-5-13(6-15(14)16)27-10-26-19-7-17(23)18(24)8-20(19)27/h1-4,7-8,10,13-16H,5-6,9H2,(H,25,28)/t13-,14-,15+,16+
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| InChIKey |
AYCFYWXCYNLGIN-RUPPMWDTSA-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