General Information of the Compound
| Compound ID |
CP0913727
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| Compound Name |
naphthalen-1-yl((2R,3R)-3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl)methanone
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| Structure |
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| Formula |
C27H30N2O
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| Molecular Weight |
398.55
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| Canonical SMILES |
O=C(c1cccc2ccccc12)N1CCC[C@H](c2ccccc2)[C@@H]1CN1CCCC1
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| InChI |
InChI=1S/C27H30N2O/c30-27(25-15-8-13-21-12-4-5-14-23(21)25)29-19-9-16-24(22-10-2-1-3-11-22)26(29)20-28-17-6-7-18-28/h1-5,8,10-15,24,26H,6-7,9,16-20H2/t24-,26+/m1/s1
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| InChIKey |
GTMWDGYKGVCUJD-RSXGOPAZSA-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