General Information of the Compound
| Compound ID |
CP0460457
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| Compound Name |
5-[3-(4-Hydroxy-4-phenyl-piperidin-1-yl)-propyl]-5,11-dihydro-10-thia-dibenzo[a,d]cycloheptene-5-carbonitrile
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| Structure |
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| Formula |
C29H30N2OS
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| Molecular Weight |
454.639
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| Canonical SMILES |
OC1(CCN(CCCC2(C#N)c3ccccc3CSc3ccccc23)CC1)c1ccccc1
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| InChI |
InChI=1S/C29H30N2OS/c30-22-28(25-12-5-4-9-23(25)21-33-27-14-7-6-13-26(27)28)15-8-18-31-19-16-29(32,17-20-31)24-10-2-1-3-11-24/h1-7,9-14,32H,8,15-21H2
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| InChIKey |
HTHXBKNIPFOYKZ-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