General Information of the Compound
| Compound ID |
CP0911168
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| Compound Name |
2-Pentanoylamino-1,2,3,4-tetrahydro-naphthalene-2-carboxylic acid ((R)-1-{(S)-1-[(S)-1-(carbamoylmethyl-carbamoyl)-2-(1H-indol-3-yl)-ethylcarbamoyl]-4-guanidino-butylcarbamoyl}-2-phenyl-ethyl)-amide
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| Structure |
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| Formula |
C44H56N10O6
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| Molecular Weight |
820.996
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| Canonical SMILES |
CCCCC(=O)N[C@@]1(C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCC(N)=O)CCc2ccccc2C1
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| InChI |
InChI=1S/C44H56N10O6/c1-2-3-19-38(56)54-44(21-20-29-14-7-8-15-30(29)25-44)42(60)53-35(23-28-12-5-4-6-13-28)41(59)51-34(18-11-22-48-43(46)47)40(58)52-36(39(57)50-27-37(45)55)24-31-26-49-33-17-10-9-16-32(31)33/h4-10,12-17,26,34-36,49H,2-3,11,18-25,27H2,1H3,(H2,45,55)(H,50,57)(H,51,59)(H,52,58)(H,53,60)(H,54,56)(H4,46,47,48)/t34-,35+,36-,44-/m0/s1
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| InChIKey |
SERSXGYDFNVFHH-UUCDGVECSA-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