General Information of the Compound
| Compound ID |
CP0530631
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| Compound Name |
1'N-[1-benzylcarbamoyl-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 |
C32H34N4O2
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| Molecular Weight |
506.65
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| Canonical SMILES |
O=C(NCc1ccccc1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CCc3ccccc23)CC1
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| InChI |
InChI=1S/C32H34N4O2/c37-30(34-21-23-8-2-1-3-9-23)29(20-25-22-33-28-13-7-5-11-26(25)28)35-31(38)36-18-16-32(17-19-36)15-14-24-10-4-6-12-27(24)32/h1-13,22,29,33H,14-21H2,(H,34,37)(H,35,38)/t29-/m0/s1
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| InChIKey |
LXSYDFHVDJQICK-LJAQVGFWSA-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