General Information of the Compound
| Compound ID |
CP0382296
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| Compound Name |
(3S)-2-[4-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
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| Structure |
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| Formula |
C28H28Cl2N4O2
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| Molecular Weight |
523.464
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| Canonical SMILES |
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(CN2CCN(CC2)c2cccc(Cl)c2Cl)cc1
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| InChI |
InChI=1S/C28H28Cl2N4O2/c29-23-6-3-7-24(26(23)30)33-14-12-32(13-15-33)17-19-8-10-20(11-9-19)28(36)34-18-22-5-2-1-4-21(22)16-25(34)27(31)35/h1-11,25H,12-18H2,(H2,31,35)/t25-/m0/s1
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| InChIKey |
HATWSYGNJCKYLQ-VWLOTQADSA-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