General Information of the Compound
| Compound ID |
CP0371892
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| Compound Name |
1-((3R,8aS)-3-benzyl-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)-3-(1H-indol-3-yl)propan-1-one
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| Structure |
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| Formula |
C25H29N3O
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| Molecular Weight |
387.527
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| Canonical SMILES |
O=C(CCc1c[nH]c2ccccc12)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1
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| InChI |
InChI=1S/C25H29N3O/c29-25(13-12-20-16-26-24-11-5-4-10-23(20)24)28-18-21-9-6-14-27(21)17-22(28)15-19-7-2-1-3-8-19/h1-5,7-8,10-11,16,21-22,26H,6,9,12-15,17-18H2/t21-,22+/m0/s1
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| InChIKey |
KPKOJXZVOJTTBP-FCHUYYIVSA-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: PT01325, Melanocortin receptor 3
Protein ID: PT00914, Melanocortin receptor 4
Protein ID: PT01804, Melanocortin receptor 5
Protein ID: PT00911, Melanocyte-stimulating hormone receptor