General Information of the Compound
| Compound ID |
CP0442515
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| Compound Name |
US8802711, 22
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| Structure |
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| Formula |
C21H24N2O2
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| Molecular Weight |
336.435
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| Canonical SMILES |
O[C@@H]1Cc2cccc(NC(=O)N[C@H]3CC[C@H](C3)c3ccccc3)c2C1
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| InChI |
InChI=1S/C21H24N2O2/c24-18-12-16-7-4-8-20(19(16)13-18)23-21(25)22-17-10-9-15(11-17)14-5-2-1-3-6-14/h1-8,15,17-18,24H,9-13H2,(H2,22,23,25)/t15-,17+,18-/m1/s1
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| InChIKey |
YZQTXNNYKDDAPW-BPQIPLTHSA-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