General Information of the Compound
| Compound ID |
CP0480608
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| Compound Name |
7-[4-(2-phenylphenyl)piperazin-1-yl]-1-[(3S)-3-(piperidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]heptan-1-one
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| Structure |
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| Formula |
C38H48N4O2
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| Molecular Weight |
592.828
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| Canonical SMILES |
O=C(CCCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1Cc2ccccc2C[C@H]1C(=O)N1CCCCC1
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| InChI |
InChI=1S/C38H48N4O2/c43-37(42-30-33-18-9-8-17-32(33)29-36(42)38(44)41-23-13-4-14-24-41)21-7-1-2-12-22-39-25-27-40(28-26-39)35-20-11-10-19-34(35)31-15-5-3-6-16-31/h3,5-6,8-11,15-20,36H,1-2,4,7,12-14,21-30H2/t36-/m0/s1
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| InChIKey |
GIOPGAVNQXYTEM-BHVANESWSA-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