General Information of the Compound
| Compound ID |
CP0870517
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| Compound Name |
(S)-2-((R)-2-acetamido-3-(naphthalen-2-yl)propanamido)-N-((S)-1-((S)-1-amino-5-guanidino-1-oxopentan-2-ylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-5-guanidinopentanamide
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| Formula |
C38H50N12O5
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| Molecular Weight |
754.897
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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](CCCNC(=N)N)C(N)=O
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| InChI |
InChI=1S/C38H50N12O5/c1-22(51)47-31(19-23-14-15-24-8-2-3-9-25(24)18-23)35(54)49-30(13-7-17-45-38(42)43)34(53)50-32(20-26-21-46-28-11-5-4-10-27(26)28)36(55)48-29(33(39)52)12-6-16-44-37(40)41/h2-5,8-11,14-15,18,21,29-32,46H,6-7,12-13,16-17,19-20H2,1H3,(H2,39,52)(H,47,51)(H,48,55)(H,49,54)(H,50,53)(H4,40,41,44)(H4,42,43,45)/t29-,30-,31+,32-/m0/s1
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| InChIKey |
ORJHCCXQMOTJLU-IHZBLBIESA-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: PT01528, Melanocortin receptor 5