General Information of the Compound
| Compound ID |
CP0570411
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| Compound Name |
CHEMBL5076546
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| Formula |
C21H24N2O3
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| Molecular Weight |
352.434
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| Canonical SMILES |
O=C([C@H]1C[C@@]2(C1)COC(=O)N2)N1C[C@H]2[C@@H](C1)[C@@H]2c1ccc2CCCc2c1
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| InChI |
InChI=1S/C21H24N2O3/c24-19(15-7-21(8-15)11-26-20(25)22-21)23-9-16-17(10-23)18(16)14-5-4-12-2-1-3-13(12)6-14/h4-6,15-18H,1-3,7-11H2,(H,22,25)/t15-,16-,17+,18+,21+
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| InChIKey |
NWZMOARYADOSAS-LVGXBGEXSA-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