General Information of the Compound
| Compound ID |
CP0376305
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| Compound Name |
Ac-c[Cys-His-D-Nal(2)'-Cys]-N-alpha-guanidinylbutyl-D-Trp-NH2
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| Structure |
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| Formula |
C43H52N12O6S2
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| Molecular Weight |
897.101
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| Canonical SMILES |
CC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(=O)N(CCCCN=C(N)N)[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
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| InChI |
InChI=1S/C43H52N12O6S2/c1-25(56)51-35-22-62-63-23-36(42(61)55(15-7-6-14-48-43(45)46)37(38(44)57)18-29-20-49-32-11-5-4-10-31(29)32)54-39(58)33(17-26-12-13-27-8-2-3-9-28(27)16-26)52-40(59)34(53-41(35)60)19-30-21-47-24-50-30/h2-5,8-13,16,20-21,24,33-37,49H,6-7,14-15,17-19,22-23H2,1H3,(H2,44,57)(H,47,50)(H,51,56)(H,52,59)(H,53,60)(H,54,58)(H4,45,46,48)/t33-,34+,35+,36+,37+/m1/s1
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| InChIKey |
ZFJZCYUIZDSFDI-RKGCBODKSA-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: PT01804, Melanocortin receptor 5
Protein ID: PT00911, Melanocyte-stimulating hormone receptor