General Information of the Compound
| Compound ID |
CP0947510
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| Compound Name |
1-[4-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]-3-naphthalen-1-ylpropan-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 |
O=C(CCc1cccc2ccccc12)c1ccc(OC[C@H](O)CN2CCCCC2)cc1
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| InChI |
InChI=1S/C27H31NO3/c29-24(19-28-17-4-1-5-18-28)20-31-25-14-11-23(12-15-25)27(30)16-13-22-9-6-8-21-7-2-3-10-26(21)22/h2-3,6-12,14-15,24,29H,1,4-5,13,16-20H2/t24-/m1/s1
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| InChIKey |
XWISGMWFTCFMIY-XMMPIXPASA-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