General Information of the Compound
| Compound ID |
CP0374364
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| Compound Name |
1'N-[1-(4-aminobutylcarbamoyl)-2-(1H-3-indolyl)ethyl]spiro[1H-indene-1,4'-(hexahydropyridine)]-1'-carboxamide
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| Structure |
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| Formula |
C29H35N5O2
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| Molecular Weight |
485.632
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| Canonical SMILES |
NCCCCNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)N1CCC2(CC1)C=Cc1ccccc21
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| InChI |
InChI=1S/C29H35N5O2/c30-15-5-6-16-31-27(35)26(19-22-20-32-25-10-4-2-8-23(22)25)33-28(36)34-17-13-29(14-18-34)12-11-21-7-1-3-9-24(21)29/h1-4,7-12,20,26,32H,5-6,13-19,30H2,(H,31,35)(H,33,36)
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| InChIKey |
XSTKTMFJIRQIMS-UHFFFAOYSA-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: PT00930, Somatostatin receptor type 1
Protein ID: PT01505, Somatostatin receptor type 2
Protein ID: PT01693, Somatostatin receptor type 3
Protein ID: PT01398, Somatostatin receptor type 4
Protein ID: PT01196, Somatostatin receptor type 5