General Information of the Compound
| Compound ID |
CP0456132
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| Compound Name |
(S)-2-((2S,5S,8S,11S)-5-benzyl-8,11-di-sec-butyl-3,6,9,12-tetraoxo-1,4,7,10-tetraazacyclododecan-2-yl)-3-oxobutane-1-sulfonic acid
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| Structure |
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| Formula |
C27H40N4O8S
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| Molecular Weight |
580.704
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)[C@@H](C)CC)[C@H](CS(O)(=O)=O)C(C)=O
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| InChI |
InChI=1S/C27H40N4O8S/c1-6-15(3)21-25(34)30-22(16(4)7-2)26(35)31-23(19(17(5)32)14-40(37,38)39)27(36)28-20(24(33)29-21)13-18-11-9-8-10-12-18/h8-12,15-16,19-23H,6-7,13-14H2,1-5H3,(H,28,36)(H,29,33)(H,30,34)(H,31,35)(H,37,38,39)/t15-,16-,19+,20-,21-,22-,23-/m0/s1
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| InChIKey |
YWMWRRNNRCIAAJ-WGPXQLEISA-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: PT06244, Galanin receptor type 1
Protein ID: PT05799, Galanin receptor type 2