General Information of the Compound
| Compound ID |
CP0469425
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| Compound Name |
(4-amino)-D-Phe-c[Cys-Tyr-D-Trp-Lys-Val-Cys]-D-Asp-NH2
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| Structure |
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| Formula |
C50H66N12O11S2
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| Molecular Weight |
1075.285
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| Canonical SMILES |
CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(=O)N[C@H](CC(O)=O)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(N)cc1
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| InChI |
InChI=1S/C50H66N12O11S2/c1-26(2)42-50(73)61-40(48(71)57-36(43(54)66)22-41(64)65)25-75-74-24-39(60-44(67)33(53)19-27-10-14-30(52)15-11-27)49(72)58-37(20-28-12-16-31(63)17-13-28)46(69)59-38(21-29-23-55-34-8-4-3-7-32(29)34)47(70)56-35(45(68)62-42)9-5-6-18-51/h3-4,7-8,10-17,23,26,33,35-40,42,55,63H,5-6,9,18-22,24-25,51-53H2,1-2H3,(H2,54,66)(H,56,70)(H,57,71)(H,58,72)(H,59,69)(H,60,67)(H,61,73)(H,62,68)(H,64,65)/t33-,35-,36+,37-,38+,39-,40+,42+/m0/s1
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| InChIKey |
RXPUMNFUMCDGIS-USTIMPPJSA-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: PT01505, Somatostatin receptor type 2
Protein ID: PT01693, Somatostatin receptor type 3
Protein ID: PT01196, Somatostatin receptor type 5