General Information of the Compound
| Compound ID |
CP0872620
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| Compound Name |
[(pF)Phe4Aib7Arg14Lys15]N/OFQ-NH2
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| Synonyms |
UFP 112
UFP-112
UFP112
[(pF)Phe4Aib7Arg14Lys15]N/OFQ-NH2
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| Structure |
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| Formula |
C83H139FN32O21
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| Molecular Weight |
1940.226
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| Canonical SMILES |
C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
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| InChI |
InChI=1S/C83H139FN32O21/c1-44(67(125)107-54(22-14-34-98-80(92)93)70(128)108-51(19-8-11-31-85)69(127)111-55(23-15-35-99-81(94)95)71(129)109-52(20-9-12-32-86)72(130)112-58(39-61(90)120)75(133)106-50(66(91)124)29-30-60(89)119)104-77(135)59(43-117)113-73(131)53(21-10-13-33-87)110-74(132)56(24-16-36-100-82(96)97)114-79(137)83(3,4)116-64(123)42-103-78(136)65(45(2)118)115-76(134)57(38-47-25-27-48(84)28-26-47)105-63(122)41-101-62(121)40-102-68(126)49(88)37-46-17-6-5-7-18-46/h5-7,17-18,25-28,44-45,49-59,65,117-118H,8-16,19-24,29-43,85-88H2,1-4H3,(H2,89,119)(H2,90,120)(H2,91,124)(H,101,121)(H,102,126)(H,103,136)(H,104,135)(H,105,122)(H,106,133)(H,107,125)(H,108,128)(H,109,129)(H,110,132)(H,111,127)(H,112,130)(H,113,131)(H,114,137)(H,115,134)(H,116,123)(H4,92,93,98)(H4,94,95,99)(H4,96,97,100)/t44-,45+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-/m0/s1
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| InChIKey |
GVIRJSRJRJCCJE-HCYVKCTOSA-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: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor
Clinical Information about the Compound