General Information of the Compound
| Compound ID |
CP0448836
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| Compound Name |
5-{3-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-propyl}-5H-dibenzo[a,d]cycloheptene-5-carbonitrile
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| Structure |
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| Formula |
C30H29ClN2O
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| Molecular Weight |
469.028
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| Canonical SMILES |
OC1(CCN(CCCC2(C#N)c3ccccc3C=Cc3ccccc23)CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C30H29ClN2O/c31-26-14-12-25(13-15-26)30(34)17-20-33(21-18-30)19-5-16-29(22-32)27-8-3-1-6-23(27)10-11-24-7-2-4-9-28(24)29/h1-4,6-15,34H,5,16-21H2
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| InChIKey |
JXQNWHHDGDWBTK-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