General Information of the Compound
| Compound ID |
CP0429586
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| Compound Name |
(1-((1R,4R)-4-((S)-2,2-difluoro-1-(4-methoxyphenyl)ethylamino)-2,2-dimethylcyclohexanecarbonyl)-4-phenylpiperidin-4-yl)(pyrrolidin-1-yl)methanone
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| Structure |
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| Formula |
C34H45F2N3O3
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| Molecular Weight |
581.748
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| Canonical SMILES |
COc1ccc(cc1)[C@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(C(=O)N2CCCC2)c2ccccc2)C(C)(C)C1)C(F)F
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| InChI |
InChI=1S/C34H45F2N3O3/c1-33(2)23-26(37-29(30(35)36)24-11-14-27(42-3)15-12-24)13-16-28(33)31(40)38-21-17-34(18-22-38,25-9-5-4-6-10-25)32(41)39-19-7-8-20-39/h4-6,9-12,14-15,26,28-30,37H,7-8,13,16-23H2,1-3H3/t26-,28+,29+/m1/s1
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| InChIKey |
ZSNMPXARMQLVQF-FGUUHEIUSA-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: PT02259, Neuropeptide Y receptor type 1
Protein ID: PT01611, Neuropeptide Y receptor type 2
Protein ID: PT01909, Neuropeptide Y receptor type 4
Protein ID: PT02856, Neuropeptide Y receptor type 5
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00871, Sodium-dependent serotonin transporter