General Information of the Compound
| Compound ID |
CP0921800
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| Compound Name |
2-(methyl(naphthalen-2-yl)amino)-1-((2R,3R)-3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl)ethanone
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| Structure |
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| Formula |
C29H35N3O
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| Molecular Weight |
441.619
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| Canonical SMILES |
CN(CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C29H35N3O/c1-30(26-16-15-23-10-5-6-13-25(23)20-26)22-29(33)32-19-9-14-27(24-11-3-2-4-12-24)28(32)21-31-17-7-8-18-31/h2-6,10-13,15-16,20,27-28H,7-9,14,17-19,21-22H2,1H3/t27-,28+/m1/s1
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| InChIKey |
ADUBKELDHZMPAG-IZLXSDGUSA-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