General Information of the Compound
| Compound ID |
CP0566197
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| Compound Name |
US8802711, 112
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| Structure |
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| Formula |
C21H24N2O
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| Molecular Weight |
320.436
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| Canonical SMILES |
O=C(N[C@H]1CC[C@@H](C1)c1ccccc1)Nc1cccc2CCCc12
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| InChI |
InChI=1S/C21H24N2O/c24-21(23-20-11-5-9-16-8-4-10-19(16)20)22-18-13-12-17(14-18)15-6-2-1-3-7-15/h1-3,5-7,9,11,17-18H,4,8,10,12-14H2,(H2,22,23,24)/t17-,18-/m0/s1
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| InChIKey |
KNGIMRWQSYAXPJ-ROUUACIJSA-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