General Information of the Compound
| Compound ID |
CP0895756
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| Compound Name |
c[Pro-Arg-Phe-Phe-Trp-Ala-Phe-DPro]
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| Structure |
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| Formula |
C57H68N12O8
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| Molecular Weight |
1049.247
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| Canonical SMILES |
C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
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| InChI |
InChI=1S/C57H68N12O8/c1-35-49(70)67-46(32-38-20-9-4-10-21-38)55(76)69-29-15-26-48(69)56(77)68-28-14-25-47(68)54(75)63-42(24-13-27-60-57(58)59)50(71)64-43(30-36-16-5-2-6-17-36)52(73)65-44(31-37-18-7-3-8-19-37)53(74)66-45(51(72)62-35)33-39-34-61-41-23-12-11-22-40(39)41/h2-12,16-23,34-35,42-48,61H,13-15,24-33H2,1H3,(H,62,72)(H,63,75)(H,64,71)(H,65,73)(H,66,74)(H,67,70)(H4,58,59,60)/t35-,42-,43-,44-,45-,46-,47-,48+/m0/s1
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| InChIKey |
KPNPTRSSAFFCTG-XBCNTNFSSA-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