General Information of the Compound
| Compound ID |
CP0496754
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| Compound Name |
N-[4-[[4-(diaminomethylideneamino)cyclohexyl]methyl]cyclohexyl]-4-(1H-indol-3-yl)-N-[(E)-3-phenylprop-2-enyl]butanamide
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| Structure |
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| Formula |
C35H47N5O
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| Molecular Weight |
553.795
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| Canonical SMILES |
NC(N)=NC1CCC(CC2CCC(CC2)N(C\C=C\c2ccccc2)C(=O)CCCc2c[nH]c3ccccc23)CC1
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| InChI |
InChI=1S/C35H47N5O/c36-35(37)39-30-19-15-27(16-20-30)24-28-17-21-31(22-18-28)40(23-7-10-26-8-2-1-3-9-26)34(41)14-6-11-29-25-38-33-13-5-4-12-32(29)33/h1-5,7-10,12-13,25,27-28,30-31,38H,6,11,14-24H2,(H4,36,37,39)/b10-7+
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| InChIKey |
PPWNEDOFJSFQAR-JXMROGBWSA-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