General Information of the Compound
| Compound ID |
CP0437889
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| Compound Name |
N-[4-(diaminomethylideneamino)butyl]-4-(1H-indol-3-yl)-N-(naphthalen-2-ylmethyl)butanamide
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| Structure |
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| Formula |
C28H33N5O
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| Molecular Weight |
455.606
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| Canonical SMILES |
NC(N)=NCCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C28H33N5O/c29-28(30)31-16-5-6-17-33(20-21-14-15-22-8-1-2-9-23(22)18-21)27(34)13-7-10-24-19-32-26-12-4-3-11-25(24)26/h1-4,8-9,11-12,14-15,18-19,32H,5-7,10,13,16-17,20H2,(H4,29,30,31)
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| InChIKey |
OSZKMUKSWPOACY-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: PT00914, Melanocortin receptor 4
Protein ID: PT01804, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor