General Information of the Compound
| Compound ID |
CP0403308
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| Compound Name |
N-[(2R)-1-[[(2S)-1-[[1-[(2-amino-2-oxoethyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-bromo-2-(pentanoylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide
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| Structure |
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| Formula |
C46H56BrN9O6
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| Molecular Weight |
910.915
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| Canonical SMILES |
CCCCC(=O)NC1(CCc2c(Br)cccc2C1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)NCC(N)=O
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| InChI |
InChI=1S/C46H56BrN9O6/c1-2-3-18-40(58)56-46(22-21-34-33(27-46)15-9-16-35(34)47)44(62)55-38(25-29-11-5-4-6-12-29)43(61)53-36(17-10-23-51-45(49)50)42(60)54-37(41(59)52-28-39(48)57)26-30-19-20-31-13-7-8-14-32(31)24-30/h4-9,11-16,19-20,24,36-38H,2-3,10,17-18,21-23,25-28H2,1H3,(H2,48,57)(H,52,59)(H,53,61)(H,54,60)(H,55,62)(H,56,58)(H4,49,50,51)/t36-,37?,38+,46?/m0/s1
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| InChIKey |
FFMSBNDTNMKRKM-FZQMEUAUSA-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