General Information of the Compound
| Compound ID |
CP0429866
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| Compound Name |
1-(cyclohexylmethyl)-N-(3-(4-(2,3-dimethylphenyl)piperazin-1-yl)propyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide
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| Structure |
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| Formula |
C34H46N4O
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| Molecular Weight |
526.769
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| Canonical SMILES |
Cc1c(cc(-c2ccccc2)n1CC1CCCCC1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
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| InChI |
InChI=1S/C34H46N4O/c1-26-12-10-17-32(27(26)2)37-22-20-36(21-23-37)19-11-18-35-34(39)31-24-33(30-15-8-5-9-16-30)38(28(31)3)25-29-13-6-4-7-14-29/h5,8-10,12,15-17,24,29H,4,6-7,11,13-14,18-23,25H2,1-3H3,(H,35,39)
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| InChIKey |
IXUUTRACMVUZJF-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