General Information of the Compound
| Compound ID |
CP0491203
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| Compound Name |
3-(1-((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-2,2-dimethylcyclohexanecarbonyl)-4-phenylpiperidin-4-yl)-1,3-oxazinan-2-one
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| Structure |
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| Formula |
C33H45N3O4
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| Molecular Weight |
547.74
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| Canonical SMILES |
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(N2CCCOC2=O)c2ccccc2)C(C)(C)C1
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| InChI |
InChI=1S/C33H45N3O4/c1-24(25-11-14-28(39-4)15-12-25)34-27-13-16-29(32(2,3)23-27)30(37)35-20-17-33(18-21-35,26-9-6-5-7-10-26)36-19-8-22-40-31(36)38/h5-7,9-12,14-15,24,27,29,34H,8,13,16-23H2,1-4H3/t24-,27-,29+/m1/s1
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| InChIKey |
OBDXIMKFNFSDIF-VQFWCGETSA-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00871, Sodium-dependent serotonin transporter