General Information of the Compound
| Compound ID |
CP0430807
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| Compound Name |
N-[(2R)-3-(4-fluorophenyl)-1-[(2S)-4-[(2S)-1-(methylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-oxo-2-propylpiperazin-1-yl]-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C34H36FN5O4S
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| Molecular Weight |
629.758
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| Canonical SMILES |
CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cscn1
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| InChI |
InChI=1S/C34H36FN5O4S/c1-3-6-29-34(44)40(30(32(42)36-2)19-23-9-12-24-7-4-5-8-25(24)17-23)16-15-39(29)33(43)27(18-22-10-13-26(35)14-11-22)38-31(41)28-20-45-21-37-28/h4-5,7-14,17,20-21,27,29-30H,3,6,15-16,18-19H2,1-2H3,(H,36,42)(H,38,41)/t27-,29+,30+/m1/s1
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| InChIKey |
NOMHNUFAKKUFFP-GGCFSWKVSA-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: PT00911, Melanocyte-stimulating hormone receptor