General Information of the Compound
| Compound ID |
CP0403297
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| Compound Name |
1-Pentanoylamino-4-phenyl-cyclohexanecarboxylic acid ((R)-1-{(S)-1-[(S)-1-carbamoyl-2-(1H-indol-3-yl)-ethylcarbamoyl]-4-guanidino-butylcarbamoyl}-2-phenyl-ethyl)-amide
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| Formula |
C44H57N9O5
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| Molecular Weight |
791.998
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| Canonical SMILES |
CCCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
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| InChI |
InChI=1S/C44H57N9O5/c1-2-3-20-38(54)53-44(23-21-31(22-24-44)30-15-8-5-9-16-30)42(58)52-37(26-29-13-6-4-7-14-29)41(57)50-35(19-12-25-48-43(46)47)40(56)51-36(39(45)55)27-32-28-49-34-18-11-10-17-33(32)34/h4-11,13-18,28,31,35-37,49H,2-3,12,19-27H2,1H3,(H2,45,55)(H,50,57)(H,51,56)(H,52,58)(H,53,54)(H4,46,47,48)/t31-,35-,36-,37+,44+/m0/s1
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| InChIKey |
SQIYQDCUCZBAPA-PUJLGNJVSA-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: PT00914, Melanocortin receptor 4
Protein ID: PT00911, Melanocyte-stimulating hormone receptor