General Information of the Compound
| Compound ID |
CP0375612
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| Compound Name |
N-[4-[[(1R)-4-ethynylcyclohex-3-en-1-yl]-propylamino]butyl]-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C24H30N2OS
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| Molecular Weight |
394.584
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| Canonical SMILES |
CCCN(CCCCNC(=O)c1cc2ccccc2s1)[C@@H]1CCC(=CC1)C#C
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| InChI |
InChI=1S/C24H30N2OS/c1-3-16-26(21-13-11-19(4-2)12-14-21)17-8-7-15-25-24(27)23-18-20-9-5-6-10-22(20)28-23/h2,5-6,9-11,18,21H,3,7-8,12-17H2,1H3,(H,25,27)/t21-/m0/s1
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| InChIKey |
OVRYUDOMQFGLII-NRFANRHFSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor