General Information of the Compound
| Compound ID |
CP0503967
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| Compound Name |
1-[2-(2-Hydroxy-3-piperidin-1-yl-propoxy)-phenyl]-3-naphthalen-1-yl-propan-1-one
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| Structure |
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| Formula |
C27H31NO3
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| Molecular Weight |
417.549
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| Canonical SMILES |
OC(COc1ccccc1C(=O)CCc1cccc2ccccc12)CN1CCCCC1
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| InChI |
InChI=1S/C27H31NO3/c29-23(19-28-17-6-1-7-18-28)20-31-27-14-5-4-13-25(27)26(30)16-15-22-11-8-10-21-9-2-3-12-24(21)22/h2-5,8-14,23,29H,1,6-7,15-20H2
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| InChIKey |
ABTCTTLEGJUQEQ-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