General Information of the Compound
| Compound ID |
CP0437212
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| Compound Name |
CHEMBL238367
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| Formula |
C25H31N3O
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| Molecular Weight |
389.543
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| Canonical SMILES |
N[C@H]1CC[C@@H](CC1)N(Cc1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C25H31N3O/c26-21-13-15-22(16-14-21)28(18-19-7-2-1-3-8-19)25(29)12-6-9-20-17-27-24-11-5-4-10-23(20)24/h1-5,7-8,10-11,17,21-22,27H,6,9,12-16,18,26H2/t21-,22-
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| InChIKey |
NBHBJMAKRVXUPR-HZCBDIJESA-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: PT01440, Melanocyte-stimulating hormone receptor