General Information of the Compound
| Compound ID |
CP0476239
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| Compound Name |
(3S,6S,9S,15aR)-9-sec-butyl-6-((1-methoxy-1H-indol-3-yl)methyl)-3-(5-oxohexyl)octahydro-1H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(12H,13H,14H)-tetraone
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| Structure |
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| Formula |
C32H45N5O6
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| Molecular Weight |
595.741
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCC(C)=O)NC(=O)[C@H]2CCCCN2C1=O
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| InChI |
InChI=1S/C32H45N5O6/c1-5-20(2)28-32(42)36-17-11-10-16-27(36)31(41)33-24(14-8-6-12-21(3)38)29(39)34-25(30(40)35-28)18-22-19-37(43-4)26-15-9-7-13-23(22)26/h7,9,13,15,19-20,24-25,27-28H,5-6,8,10-12,14,16-18H2,1-4H3,(H,33,41)(H,34,39)(H,35,40)/t20-,24-,25-,27+,28-/m0/s1
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| InChIKey |
SLNRKQPBCJPWHD-DVORCMKRSA-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