General Information of the Compound
| Compound ID |
CP0487764
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| Compound Name |
(3S)-2-[6-[4-(2-phenylphenyl)piperazin-1-yl]hexanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
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| Structure |
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| Formula |
C32H38N4O2
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| Molecular Weight |
510.682
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| Canonical SMILES |
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1
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| InChI |
InChI=1S/C32H38N4O2/c33-32(38)30-23-26-13-6-7-14-27(26)24-36(30)31(37)17-5-2-10-18-34-19-21-35(22-20-34)29-16-9-8-15-28(29)25-11-3-1-4-12-25/h1,3-4,6-9,11-16,30H,2,5,10,17-24H2,(H2,33,38)/t30-/m0/s1
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| InChIKey |
VSTRNYWGJFOSRR-PMERELPUSA-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