General Information of the Compound
| Compound ID |
CP0401151
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| Compound Name |
N-[(2S)-1-[(3,5-dimethylphenyl)methyl-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
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| Structure |
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| Formula |
C28H29N3O2
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| Molecular Weight |
439.559
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| Canonical SMILES |
CN(Cc1cc(C)cc(C)c1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1
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| InChI |
InChI=1S/C28H29N3O2/c1-19-13-20(2)15-21(14-19)18-31(3)28(33)26(30-27(32)22-9-5-4-6-10-22)16-23-17-29-25-12-8-7-11-24(23)25/h4-15,17,26,29H,16,18H2,1-3H3,(H,30,32)/t26-/m0/s1
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| InChIKey |
KWYBCHYLXFETGY-SANMLTNESA-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