General Information of the Compound
| Compound ID |
CP0437832
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| Compound Name |
N-[3-(diaminomethylideneamino)propyl]-2-(1H-indol-3-yl)-N-(naphthalen-2-ylmethyl)acetamide
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| Structure |
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| Formula |
C25H27N5O
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| Molecular Weight |
413.525
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| Canonical SMILES |
NC(N)=NCCCN(Cc1ccc2ccccc2c1)C(=O)Cc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C25H27N5O/c26-25(27)28-12-5-13-30(17-18-10-11-19-6-1-2-7-20(19)14-18)24(31)15-21-16-29-23-9-4-3-8-22(21)23/h1-4,6-11,14,16,29H,5,12-13,15,17H2,(H4,26,27,28)
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| InChIKey |
VMMCWSWGEOMEAN-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: PT01804, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor