General Information of the Compound
| Compound ID |
CP0490521
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| Compound Name |
2-(naphthalen-1-yl)-1-(4-phenyl-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl)ethanone
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| Structure |
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| Formula |
C27H31N3O
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| Molecular Weight |
413.565
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| Canonical SMILES |
O=C(Cc1cccc2ccccc12)N1CCN(CC1CN1CCCC1)c1ccccc1
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| InChI |
InChI=1S/C27H31N3O/c31-27(19-23-11-8-10-22-9-4-5-14-26(22)23)30-18-17-29(24-12-2-1-3-13-24)21-25(30)20-28-15-6-7-16-28/h1-5,8-14,25H,6-7,15-21H2
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| InChIKey |
VOLCOWHEAGPHMZ-UHFFFAOYSA-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