General Information of the Compound
| Compound ID |
CP0513542
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| Compound Name |
N-[3-[4-(2,3-dimethoxyphenyl)piperazin-1-yl]propyl]-1,2-dimethyl-5-phenylpyrrole-3-carboxamide
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| Structure |
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| Formula |
C28H36N4O3
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| Molecular Weight |
476.621
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| Canonical SMILES |
COc1cccc(N2CCN(CCCNC(=O)c3cc(-c4ccccc4)n(C)c3C)CC2)c1OC
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| InChI |
InChI=1S/C28H36N4O3/c1-21-23(20-25(30(21)2)22-10-6-5-7-11-22)28(33)29-14-9-15-31-16-18-32(19-17-31)24-12-8-13-26(34-3)27(24)35-4/h5-8,10-13,20H,9,14-19H2,1-4H3,(H,29,33)
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| InChIKey |
CZXBPXYQHYAPBF-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT00871, Sodium-dependent serotonin transporter