General Information of the Compound
| Compound ID |
CP0411734
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| Compound Name |
(3S)-2-[6-[4-(3-chlorophenyl)piperazin-1-yl]hexanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
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| Structure |
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| Formula |
C26H33ClN4O2
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| Molecular Weight |
469.029
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| Canonical SMILES |
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(CC1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C26H33ClN4O2/c27-22-9-6-10-23(18-22)30-15-13-29(14-16-30)12-5-1-2-11-25(32)31-19-21-8-4-3-7-20(21)17-24(31)26(28)33/h3-4,6-10,18,24H,1-2,5,11-17,19H2,(H2,28,33)/t24-/m0/s1
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| InChIKey |
HUQMGSARZARNMR-DEOSSOPVSA-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: PT00941, 5-hydroxytryptamine receptor 7