General Information of the Compound
| Compound ID |
CP0861775
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| Compound Name |
(R)-(3-(hydroxymethyl)piperidin-1-yl)(4-((4-phenoxyphenyl)ethynyl)phenyl)methanone
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| Structure |
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| Formula |
C27H25NO3
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| Molecular Weight |
411.501
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| Canonical SMILES |
O=C(c1ccc(C#Cc2ccc(Oc3ccccc3)cc2)cc1)N1CCC[C@@H](CO)C1
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| InChI |
InChI=1S/C27H25NO3/c29-20-23-5-4-18-28(19-23)27(30)24-14-10-21(11-15-24)8-9-22-12-16-26(17-13-22)31-25-6-2-1-3-7-25/h1-3,6-7,10-17,23,29H,4-5,18-20H2/t23-/m1/s1
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| InChIKey |
SEJBAZTZAGQTTM-HSZRJFAPSA-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