General Information of the Compound
| Compound ID |
CP0468102
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| Compound Name |
(3S)-2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
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| Structure |
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| Formula |
C26H34N4O3
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| Molecular Weight |
450.583
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)CC1
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| InChI |
InChI=1S/C26H34N4O3/c1-33-24-11-5-4-10-22(24)29-16-14-28(15-17-29)13-7-6-12-25(31)30-19-21-9-3-2-8-20(21)18-23(30)26(27)32/h2-5,8-11,23H,6-7,12-19H2,1H3,(H2,27,32)/t23-/m0/s1
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| InChIKey |
VTODVLHWDTXRCH-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