General Information of the Compound
| Compound ID |
CP0530400
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| Compound Name |
US8802711, 136
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| Structure |
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| Formula |
C21H20ClN3O
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| Molecular Weight |
365.864
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| Canonical SMILES |
Clc1nccc2c(NC(=O)N[C@@H]3CC[C@@H](C3)c3ccccc3)cccc12
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| InChI |
InChI=1S/C21H20ClN3O/c22-20-18-7-4-8-19(17(18)11-12-23-20)25-21(26)24-16-10-9-15(13-16)14-5-2-1-3-6-14/h1-8,11-12,15-16H,9-10,13H2,(H2,24,25,26)/t15-,16+/m0/s1
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| InChIKey |
WXNWCQLDJQBJGZ-JKSUJKDBSA-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