General Information of the Compound
| Compound ID |
CP0472348
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| Compound Name |
1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-7-[4-(2-propan-2-ylphenyl)piperazin-1-yl]heptan-1-one
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| Structure |
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| Formula |
C29H46N4O3
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| Molecular Weight |
498.712
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| Canonical SMILES |
CC(C)c1ccccc1N1CCN(CCCCCCC(=O)N2CCC[C@H]2C(=O)N2CCOCC2)CC1
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| InChI |
InChI=1S/C29H46N4O3/c1-24(2)25-10-6-7-11-26(25)31-18-16-30(17-19-31)14-8-4-3-5-13-28(34)33-15-9-12-27(33)29(35)32-20-22-36-23-21-32/h6-7,10-11,24,27H,3-5,8-9,12-23H2,1-2H3/t27-/m0/s1
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| InChIKey |
PUEHOHPXGUTNHD-MHZLTWQESA-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