General Information of the Compound
| Compound ID |
CP0410887
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| Compound Name |
1-[(3S)-3-(morpholine-4-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[4-(2-phenylphenyl)piperazin-1-yl]pentan-1-one
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| Structure |
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| Formula |
C35H42N4O3
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| Molecular Weight |
566.746
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| Canonical SMILES |
O=C(CCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1Cc2ccccc2C[C@H]1C(=O)N1CCOCC1
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| InChI |
InChI=1S/C35H42N4O3/c40-34(39-27-30-13-5-4-12-29(30)26-33(39)35(41)38-22-24-42-25-23-38)16-8-9-17-36-18-20-37(21-19-36)32-15-7-6-14-31(32)28-10-2-1-3-11-28/h1-7,10-15,33H,8-9,16-27H2/t33-/m0/s1
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| InChIKey |
KBEYRUZEFAMHGP-XIFFEERXSA-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