General Information of the Compound
| Compound ID |
CP0436835
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| Compound Name |
1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-1-methyl-1H-pyrazol-3-ylmethyl}-piperidin-2-one
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| Structure |
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| Formula |
C24H35N5O2
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| Molecular Weight |
425.577
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| Canonical SMILES |
CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)nn2C)CC1
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| InChI |
InChI=1S/C24H35N5O2/c1-19(2)31-23-9-5-4-8-22(23)28-14-12-27(13-15-28)18-21-16-20(25-26(21)3)17-29-11-7-6-10-24(29)30/h4-5,8-9,16,19H,6-7,10-15,17-18H2,1-3H3
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| InChIKey |
WEGSBUBJYGWBQE-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
Protein ID: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor