General Information of the Compound
| Compound ID |
CP0399643
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| Compound Name |
(3S)-2-[5-[4-(2-phenylphenyl)piperazin-1-yl]pentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
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| Structure |
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| Formula |
C31H36N4O2
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| Molecular Weight |
496.655
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| Canonical SMILES |
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCN1CCN(CC1)c1ccccc1-c1ccccc1
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| InChI |
InChI=1S/C31H36N4O2/c32-31(37)29-22-25-12-4-5-13-26(25)23-35(29)30(36)16-8-9-17-33-18-20-34(21-19-33)28-15-7-6-14-27(28)24-10-2-1-3-11-24/h1-7,10-15,29H,8-9,16-23H2,(H2,32,37)/t29-/m0/s1
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| InChIKey |
IJROQVYQUCVUHW-LJAQVGFWSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7