General Information of the Compound
| Compound ID |
CP0465235
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| Compound Name |
N-[3-(diaminomethylideneamino)propyl]-4-(1H-indol-3-yl)-N-(naphthalen-2-ylmethyl)butanamide
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| Structure |
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| Formula |
C27H31N5O
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| Molecular Weight |
441.579
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| Canonical SMILES |
NC(N)=NCCCN(Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C27H31N5O/c28-27(29)30-15-6-16-32(19-20-13-14-21-7-1-2-8-22(21)17-20)26(33)12-5-9-23-18-31-25-11-4-3-10-24(23)25/h1-4,7-8,10-11,13-14,17-18,31H,5-6,9,12,15-16,19H2,(H4,28,29,30)
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| InChIKey |
PVTQDPKZDIWQRL-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: PT01325, Melanocortin receptor 3
Protein ID: PT00914, Melanocortin receptor 4
Protein ID: PT01804, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor