General Information of the Compound
| Compound ID |
CP0896249
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| Compound Name |
(+/-)-trans-2-Hydroxy-3-(4-(4-bromobenzoyl)piperidino)tetralin Hydrochloride
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| Structure |
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| Formula |
C22H25BrClNO2
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| Molecular Weight |
450.804
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| Canonical SMILES |
Cl.O=C(c1ccc(Br)cc1)C1CCN([C@@H]2Cc3ccccc3C[C@H]2O)CC1
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| InChI |
InChI=1S/C22H24BrNO2.ClH/c23-19-7-5-15(6-8-19)22(26)16-9-11-24(12-10-16)20-13-17-3-1-2-4-18(17)14-21(20)25;/h1-8,16,20-21,25H,9-14H2;1H/t20-,21-;/m1./s1
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| InChIKey |
BHRHWWGWCDOAPL-MUCZFFFMSA-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