General Information of the Compound
| Compound ID |
CP0436532
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| Compound Name |
(E)-N-(5-aminopentyl)-4-(1H-indol-3-yl)-N-(3-(naphthalen-2-yl)prop-1-enyl)butanamide
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| Structure |
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| Formula |
C30H35N3O
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| Molecular Weight |
453.63
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| Canonical SMILES |
NCCCCCN(\C=C\Cc1ccc2ccccc2c1)C(=O)CCCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C30H35N3O/c31-19-6-1-7-20-33(21-9-10-24-17-18-25-11-2-3-12-26(25)22-24)30(34)16-8-13-27-23-32-29-15-5-4-14-28(27)29/h2-5,9,11-12,14-15,17-18,21-23,32H,1,6-8,10,13,16,19-20,31H2/b21-9+
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| InChIKey |
ZKCYNFUBCHKAQP-ZVBGSRNCSA-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: PT01440, Melanocyte-stimulating hormone receptor