General Information of the Compound
| Compound ID |
CP0471048
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| Compound Name |
(3S)-2-[7-[4-(2-phenylphenyl)piperazin-1-yl]heptanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
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| Structure |
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| Formula |
C33H40N4O2
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| Molecular Weight |
524.709
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| Canonical SMILES |
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCCCCCN1CCN(CC1)c1ccccc1-c1ccccc1
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| InChI |
InChI=1S/C33H40N4O2/c34-33(39)31-24-27-14-7-8-15-28(27)25-37(31)32(38)18-6-1-2-11-19-35-20-22-36(23-21-35)30-17-10-9-16-29(30)26-12-4-3-5-13-26/h3-5,7-10,12-17,31H,1-2,6,11,18-25H2,(H2,34,39)/t31-/m0/s1
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| InChIKey |
YITRPSKRAGRSSH-HKBQPEDESA-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