General Information of the Compound
| Compound ID |
CP0455771
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| Compound Name |
4-[8-[(7-methyl-1-propan-2-ylindol-3-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid
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| Structure |
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| Formula |
C28H33N3O3
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| Molecular Weight |
459.59
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| Canonical SMILES |
CC(C)n1cc(CN2CCC3(CN(C(=O)C3)c3ccc(cc3)C(O)=O)CC2)c2cccc(C)c12
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| InChI |
InChI=1S/C28H33N3O3/c1-19(2)30-17-22(24-6-4-5-20(3)26(24)30)16-29-13-11-28(12-14-29)15-25(32)31(18-28)23-9-7-21(8-10-23)27(33)34/h4-10,17,19H,11-16,18H2,1-3H3,(H,33,34)
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| InChIKey |
WWHVUNSPEAIOKH-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: PT06443, Somatostatin receptor type 5
Protein ID: PT01196, Somatostatin receptor type 5