General Information of the Compound
| Compound ID |
CP0911600
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| Compound Name |
1-[2-[(2R)-2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl]-3-naphthalen-1-ylpropan-1-one
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| Structure |
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| Formula |
C33H35NO4
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| Molecular Weight |
509.646
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| Canonical SMILES |
O=C(CCc1cccc2ccccc12)c1ccccc1OC[C@H](O)CN1CCC(O)(c2ccccc2)CC1
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| InChI |
InChI=1S/C33H35NO4/c35-28(23-34-21-19-33(37,20-22-34)27-12-2-1-3-13-27)24-38-32-16-7-6-15-30(32)31(36)18-17-26-11-8-10-25-9-4-5-14-29(25)26/h1-16,28,35,37H,17-24H2/t28-/m1/s1
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| InChIKey |
NVSXFDQTCYVKHH-MUUNZHRXSA-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