General Information of the Compound
| Compound ID |
CP0881213
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| Compound Name |
(S)-2-((R)-2-((S)-2-acetamido-3-(1H-indol-3-yl)propanamido)-3-(4-iodophenyl)propanamido)-N-((S)-1-amino-3-(biphenyl-4-yl)-1-oxopropan-2-yl)-5-guanidinopentanamide
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| Structure |
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| Formula |
C43H48IN9O5
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| Molecular Weight |
897.819
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O
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| InChI |
InChI=1S/C43H48IN9O5/c1-26(54)50-38(24-31-25-49-34-11-6-5-10-33(31)34)42(58)53-37(23-28-15-19-32(44)20-16-28)41(57)51-35(12-7-21-48-43(46)47)40(56)52-36(39(45)55)22-27-13-17-30(18-14-27)29-8-3-2-4-9-29/h2-6,8-11,13-20,25,35-38,49H,7,12,21-24H2,1H3,(H2,45,55)(H,50,54)(H,51,57)(H,52,56)(H,53,58)(H4,46,47,48)/t35-,36-,37+,38-/m0/s1
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| InChIKey |
NXFNNHLGYYKVIN-DYLMPHRMSA-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
Protein ID: PT01440, Melanocyte-stimulating hormone receptor