General Information of the Compound
| Compound ID |
CP0911679
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| Compound Name |
2-Butyrylamino-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 |
C43H54N10O6
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| Molecular Weight |
806.969
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| Canonical SMILES |
CCCC(=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/C43H54N10O6/c1-2-11-37(55)53-43(20-19-28-14-6-7-15-29(28)24-43)41(59)52-34(22-27-12-4-3-5-13-27)40(58)50-33(18-10-21-47-42(45)46)39(57)51-35(38(56)49-26-36(44)54)23-30-25-48-32-17-9-8-16-31(30)32/h3-9,12-17,25,33-35,48H,2,10-11,18-24,26H2,1H3,(H2,44,54)(H,49,56)(H,50,58)(H,51,57)(H,52,59)(H,53,55)(H4,45,46,47)/t33-,34+,35-,43-/m0/s1
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| InChIKey |
JUVJYZGLTWZLKJ-MTOCZNIXSA-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