General Information of the Compound
| Compound ID |
CP0399639
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| Compound Name |
7-[4-(2-phenylphenyl)piperazin-1-yl]-1-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]heptan-1-one
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| Structure |
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| Formula |
C33H46N4O2
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| Molecular Weight |
530.757
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| Canonical SMILES |
O=C(CCCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1CCC[C@H]1C(=O)N1CCCCC1
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| InChI |
InChI=1S/C33H46N4O2/c38-32(37-23-13-18-31(37)33(39)36-21-11-4-12-22-36)19-7-1-2-10-20-34-24-26-35(27-25-34)30-17-9-8-16-29(30)28-14-5-3-6-15-28/h3,5-6,8-9,14-17,31H,1-2,4,7,10-13,18-27H2/t31-/m0/s1
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| InChIKey |
KHBMIQRFIMHKLD-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