General Information of the Compound
| Compound ID |
CP0528883
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| Compound Name |
4-Acetylamino-4-phenyl-piperidine-1-carboxylic acid [(S)-1-(benzyl-methyl-carbamoyl)-2-(1H-indol-3-yl)-ethyl]-amide
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| Structure |
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| Formula |
C33H37N5O3
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| Molecular Weight |
551.691
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| Canonical SMILES |
CN(Cc1ccccc1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC(CC1)(NC(C)=O)c1ccccc1
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| InChI |
InChI=1S/C33H37N5O3/c1-24(39)36-33(27-13-7-4-8-14-27)17-19-38(20-18-33)32(41)35-30(21-26-22-34-29-16-10-9-15-28(26)29)31(40)37(2)23-25-11-5-3-6-12-25/h3-16,22,30,34H,17-21,23H2,1-2H3,(H,35,41)(H,36,39)/t30-/m0/s1
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| InChIKey |
NWNXAOPJFFMSJS-PMERELPUSA-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: PT01290, Substance-K receptor
Protein ID: PT01410, Substance-P receptor