General Information of the Compound
| Compound ID |
CP0520159
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| Compound Name |
1'N-[1-benzyl(methyl)carbamoyl-2-(1H-3-indolyl)-(1S)-ethyl]spiro[1H-indene-1,4'-(hexahydropyridine)]-1'-carboxamide
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| Structure |
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| Formula |
C33H34N4O2
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| Molecular Weight |
518.661
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| Canonical SMILES |
CN(Cc1ccccc1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CC1)C=Cc1ccccc21
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| InChI |
InChI=1S/C33H34N4O2/c1-36(23-24-9-3-2-4-10-24)31(38)30(21-26-22-34-29-14-8-6-12-27(26)29)35-32(39)37-19-17-33(18-20-37)16-15-25-11-5-7-13-28(25)33/h2-16,22,30,34H,17-21,23H2,1H3,(H,35,39)/t30-/m0/s1
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| InChIKey |
FNDMCYOVTUKDBA-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