General Information of the Compound
| Compound ID |
CP0573136
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| Compound Name |
3-[4-[4-[4-[3-[1-(furan-3-ylmethyl)piperidin-4-yl]propanoyl]phenyl]piperazin-1-yl]butyl]-1H-indole-5-carbonitrile
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| Structure |
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| Formula |
C36H43N5O2
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| Molecular Weight |
577.773
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| Canonical SMILES |
O=C(CCC1CCN(Cc2ccoc2)CC1)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
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| InChI |
InChI=1S/C36H43N5O2/c37-24-29-4-10-35-34(23-29)32(25-38-35)3-1-2-15-39-18-20-41(21-19-39)33-8-6-31(7-9-33)36(42)11-5-28-12-16-40(17-13-28)26-30-14-22-43-27-30/h4,6-10,14,22-23,25,27-28,38H,1-3,5,11-13,15-21,26H2
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| InChIKey |
FBKQEIXRJCOJFR-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00871, Sodium-dependent serotonin transporter