General Information of the Compound
| Compound ID |
CP0389955
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| Compound Name |
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C22H23Cl2N3OS
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| Molecular Weight |
448.419
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCNC(=O)c3cc4ccccc4s3)CC2)c1Cl
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| InChI |
InChI=1S/C22H23Cl2N3OS/c23-17-6-3-7-18(21(17)24)27-13-11-26(12-14-27)10-4-9-25-22(28)20-15-16-5-1-2-8-19(16)29-20/h1-3,5-8,15H,4,9-14H2,(H,25,28)
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| InChIKey |
LTTNSZLIGPASHD-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: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter