General Information of the Compound
| Compound ID |
CP0855078
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| Compound Name |
c(his-D-phe-arg-trp-betaala)
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| Structure |
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| Formula |
C35H43N11O5
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| Molecular Weight |
697.801
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| Canonical SMILES |
N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
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| InChI |
InChI=1S/C35H43N11O5/c36-35(37)40-13-6-11-26-32(49)46-28(16-22-18-41-25-10-5-4-9-24(22)25)31(48)39-14-12-30(47)43-29(17-23-19-38-20-42-23)34(51)45-27(33(50)44-26)15-21-7-2-1-3-8-21/h1-5,7-10,18-20,26-29,41H,6,11-17H2,(H,38,42)(H,39,48)(H,43,47)(H,44,50)(H,45,51)(H,46,49)(H4,36,37,40)/t26-,27+,28-,29-/m0/s1
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| InChIKey |
VCIZJJJUWBAPMR-CRNKYVSFSA-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: PT00914, Melanocortin receptor 4
Protein ID: PT00911, Melanocyte-stimulating hormone receptor