General Information of the Compound
| Compound ID |
CP0471259
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| Compound Name |
(5R)-1-[[(2S)-1-[(1R)-1-[(4R)-3-(1-adamantylmethyl)-2-imino-4-propan-2-ylimidazolidin-1-yl]-2-phenylethyl]pyrrolidin-2-yl]methyl]-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
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| Formula |
C37H59N7
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| Molecular Weight |
601.928
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| Canonical SMILES |
CC(C)C[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccccc1)N1C[C@@H](C(C)C)N(CC23CC4CC(CC(C4)C2)C3)C1=N
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| InChI |
InChI=1S/C37H59N7/c1-25(2)13-32-21-40-35(38)42(32)22-31-11-8-12-41(31)34(17-27-9-6-5-7-10-27)43-23-33(26(3)4)44(36(43)39)24-37-18-28-14-29(19-37)16-30(15-28)20-37/h5-7,9-10,25-26,28-34,39H,8,11-24H2,1-4H3,(H2,38,40)/t28?,29?,30?,31-,32+,33-,34+,37?/m0/s1
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| InChIKey |
KFKTTWFWSXHPDS-WGFPFELBSA-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: PT01431, Melanocortin receptor 4
Protein ID: PT01528, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor