General Information of the Compound
| Compound ID |
CP0456401
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| Compound Name |
(2S)-2-acetamido-N-[(2S)-1-[[(2R)-1-[[(2S)-1-amino-1-oxo-3-(4-phenylphenyl)propan-2-yl]amino]-3-(4-iodophenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-5-(diaminomethylideneamino)pentanamide
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| Structure |
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| Formula |
C38H50IN11O5
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| Molecular Weight |
867.794
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| Canonical SMILES |
CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O
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| InChI |
InChI=1S/C38H50IN11O5/c1-23(51)47-29(9-5-19-45-37(41)42)34(53)48-30(10-6-20-46-38(43)44)35(54)50-32(22-25-13-17-28(39)18-14-25)36(55)49-31(33(40)52)21-24-11-15-27(16-12-24)26-7-3-2-4-8-26/h2-4,7-8,11-18,29-32H,5-6,9-10,19-22H2,1H3,(H2,40,52)(H,47,51)(H,48,53)(H,49,55)(H,50,54)(H4,41,42,45)(H4,43,44,46)/t29-,30-,31-,32+/m0/s1
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| InChIKey |
HCBZSDSBYHCIQA-RTNMLALUSA-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: PT02450, Melanocortin receptor 3
Protein ID: PT01431, Melanocortin receptor 4
Protein ID: PT01528, Melanocortin receptor 5