General Information of the Compound
| Compound ID |
CP0434967
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| Compound Name |
4-[8-[(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
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| Structure |
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| Formula |
C26H30N2O4S
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| Molecular Weight |
466.603
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| Canonical SMILES |
CC1(C)CCSc2ccc(CN3CCC4(CN(C(=O)O4)c4ccc(cc4)C(O)=O)CC3)cc12
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| InChI |
InChI=1S/C26H30N2O4S/c1-25(2)11-14-33-22-8-3-18(15-21(22)25)16-27-12-9-26(10-13-27)17-28(24(31)32-26)20-6-4-19(5-7-20)23(29)30/h3-8,15H,9-14,16-17H2,1-2H3,(H,29,30)
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| InChIKey |
KCVLWXWWPCUVTQ-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: PT01196, Somatostatin receptor type 5
Protein ID: PT06443, Somatostatin receptor type 5