General Information of the Compound
| Compound ID |
CP0416178
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| Compound Name |
(3S)-2-[6-[4-(2,3-dichlorophenyl)piperazin-1-yl]hexanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
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| Structure |
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| Formula |
C26H32Cl2N4O2
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| Molecular Weight |
503.474
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| Canonical SMILES |
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C26H32Cl2N4O2/c27-21-9-6-10-22(25(21)28)31-15-13-30(14-16-31)12-5-1-2-11-24(33)32-18-20-8-4-3-7-19(20)17-23(32)26(29)34/h3-4,6-10,23H,1-2,5,11-18H2,(H2,29,34)/t23-/m0/s1
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| InChIKey |
ZRCLMNFYEJGGIS-QHCPKHFHSA-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