General Information of the Compound
| Compound ID |
CP0463662
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| Compound Name |
1'N-[1-benzyl(ethyl)carbamoyl-2-(1H-3-indolyl)-(1S)-ethyl]spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1'-carboxamide
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| Structure |
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| Formula |
C34H38N4O2
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| Molecular Weight |
534.704
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| Canonical SMILES |
CCN(Cc1ccccc1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CCc3ccccc23)CC1
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| InChI |
InChI=1S/C34H38N4O2/c1-2-37(24-25-10-4-3-5-11-25)32(39)31(22-27-23-35-30-15-9-7-13-28(27)30)36-33(40)38-20-18-34(19-21-38)17-16-26-12-6-8-14-29(26)34/h3-15,23,31,35H,2,16-22,24H2,1H3,(H,36,40)/t31-/m0/s1
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| InChIKey |
DAEBXVQKLYMREV-HKBQPEDESA-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