General Information of the Compound
| Compound ID |
CP0868571
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| Compound Name |
(S)-2-((R)-2-acetamido-3-(4-iodophenyl)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 |
C34H47IN12O5
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| Molecular Weight |
830.733
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| Canonical SMILES |
CC(=O)N[C@H](Cc1ccc(I)cc1)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/C34H47IN12O5/c1-19(48)44-27(16-20-10-12-22(35)13-11-20)31(51)46-26(9-5-15-42-34(39)40)30(50)47-28(17-21-18-43-24-7-3-2-6-23(21)24)32(52)45-25(29(36)49)8-4-14-41-33(37)38/h2-3,6-7,10-13,18,25-28,43H,4-5,8-9,14-17H2,1H3,(H2,36,49)(H,44,48)(H,45,52)(H,46,51)(H,47,50)(H4,37,38,41)(H4,39,40,42)/t25-,26-,27+,28-/m0/s1
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| InChIKey |
QEUAUPZATYLEHM-BPXGVECKSA-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