General Information of the Compound
| Compound ID |
CP0576308
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| Compound Name |
3-[4-[4-[4-[3-[1-(pyridin-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 |
C37H44N6O
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| Molecular Weight |
588.8
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| Canonical SMILES |
O=C(CCC1CCN(Cc2cccnc2)CC1)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
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| InChI |
InChI=1S/C37H44N6O/c38-25-30-6-12-36-35(24-30)33(27-40-36)5-1-2-17-41-20-22-43(23-21-41)34-10-8-32(9-11-34)37(44)13-7-29-14-18-42(19-15-29)28-31-4-3-16-39-26-31/h3-4,6,8-12,16,24,26-27,29,40H,1-2,5,7,13-15,17-23,28H2
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| InChIKey |
ZEIIEAHVFXVYNQ-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