General Information of the Compound
| Compound ID |
CP0429585
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| Compound Name |
N-[4-[(1R,4R)-4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-2,2-dimethylcyclohexanecarbonyl]-1-phenylcyclohexyl]-N-methylacetamide
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| Structure |
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| Formula |
C33H46N2O3
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| Molecular Weight |
518.742
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| Canonical SMILES |
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)C2CCC(CC2)(N(C)C(C)=O)c2ccccc2)C(C)(C)C1
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| InChI |
InChI=1S/C33H46N2O3/c1-23(25-12-15-29(38-6)16-13-25)34-28-14-17-30(32(3,4)22-28)31(37)26-18-20-33(21-19-26,35(5)24(2)36)27-10-8-7-9-11-27/h7-13,15-16,23,26,28,30,34H,14,17-22H2,1-6H3/t23-,26?,28-,30+,33?/m1/s1
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| InChIKey |
JASFWVIOOFYYRD-FWZXWOTPSA-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