General Information of the Compound
| Compound ID |
CP0854276
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| Compound Name |
trans-5-{[4-(2-Methoxyphenyl)piperazin-1-yl]methyl}-2,2-diphenylcyclopentan-1-ol Oxalate
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| Structure |
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| Formula |
C31H36N2O6
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| Molecular Weight |
532.637
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| Canonical SMILES |
COc1ccccc1N1CCN(C[C@H]2CCC(c3ccccc3)(c3ccccc3)[C@@H]2O)CC1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C29H34N2O2.C2H2O4/c1-33-27-15-9-8-14-26(27)31-20-18-30(19-21-31)22-23-16-17-29(28(23)32,24-10-4-2-5-11-24)25-12-6-3-7-13-25;3-1(4)2(5)6/h2-15,23,28,32H,16-22H2,1H3;(H,3,4)(H,5,6)/t23-,28-;/m1./s1
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| InChIKey |
PZKOLFCLELHKMC-UIWKITTESA-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
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor