General Information of the Compound
| Compound ID |
CP0445066
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| Compound Name |
2-[3-[4-[1-[(3-chlorophenyl)methyl]indol-4-yl]piperazin-1-yl]propoxy]benzamide
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| Structure |
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| Formula |
C29H31ClN4O2
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| Molecular Weight |
503.046
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| Canonical SMILES |
NC(=O)c1ccccc1OCCCN1CCN(CC1)c1cccc2n(Cc3cccc(Cl)c3)ccc12
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| InChI |
InChI=1S/C29H31ClN4O2/c30-23-7-3-6-22(20-23)21-34-14-12-24-26(9-4-10-27(24)34)33-17-15-32(16-18-33)13-5-19-36-28-11-2-1-8-25(28)29(31)35/h1-4,6-12,14,20H,5,13,15-19,21H2,(H2,31,35)
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| InChIKey |
TXNIRSWZVDUVJR-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT01005, D(2) dopamine receptor