General Information of the Compound
| Compound ID |
CP0576834
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| Compound Name |
3-[4-[4-[5-butyl-4-[4-(4-chlorophenoxy)phenyl]-1,3-thiazol-2-yl]piperidin-1-yl]butyl]-1-methylindole-5-carbonitrile
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| Structure |
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| Formula |
C38H41ClN4OS
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| Molecular Weight |
637.293
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| Canonical SMILES |
CCCCc1sc(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCN(CCCCc2cn(C)c3ccc(cc23)C#N)CC1
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| InChI |
InChI=1S/C38H41ClN4OS/c1-3-4-8-36-37(28-10-14-32(15-11-28)44-33-16-12-31(39)13-17-33)41-38(45-36)29-19-22-43(23-20-29)21-6-5-7-30-26-42(2)35-18-9-27(25-40)24-34(30)35/h9-18,24,26,29H,3-8,19-23H2,1-2H3
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| InChIKey |
SYSZRZAQHLUSDF-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00871, Sodium-dependent serotonin transporter