General Information of the Compound
| Compound ID |
CP0887629
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| Compound Name |
(R)-2-((S)-2-((S)-2-((R)-2-acetamido-3-(naphthalen-2-yl)propanamido)-5-guanidinopentanamido)-3-(1H-indol-3-yl)propanamido)-6-aminohexanamide
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| Formula |
C38H50N10O5
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| Molecular Weight |
726.883
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| Canonical SMILES |
CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C38H50N10O5/c1-23(49)45-32(20-24-15-16-25-9-2-3-10-26(25)19-24)36(52)47-31(14-8-18-43-38(41)42)35(51)48-33(21-27-22-44-29-12-5-4-11-28(27)29)37(53)46-30(34(40)50)13-6-7-17-39/h2-5,9-12,15-16,19,22,30-33,44H,6-8,13-14,17-18,20-21,39H2,1H3,(H2,40,50)(H,45,49)(H,46,53)(H,47,52)(H,48,51)(H4,41,42,43)/t30-,31+,32-,33+/m1/s1
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| InChIKey |
CEGIOEDDDNGHNS-LVVLYVGBSA-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