General Information of the Compound
| Compound ID |
CP0431525
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| Compound Name |
(4-amino)-D-Phe-c[Cys-Tyr-D-Trp-Lys-Val-Cys]-Thr-NH2
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| Structure |
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| Formula |
C50H68N12O10S2
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| Molecular Weight |
1061.302
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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]([C@@H](C)O)C(N)=O)NC(=O)[C@@H](N)Cc1ccc(N)cc1
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| InChI |
InChI=1S/C50H68N12O10S2/c1-26(2)41-50(72)60-40(49(71)62-42(27(3)63)43(54)65)25-74-73-24-39(59-44(66)34(53)20-28-11-15-31(52)16-12-28)48(70)57-37(21-29-13-17-32(64)18-14-29)46(68)58-38(22-30-23-55-35-9-5-4-8-33(30)35)47(69)56-36(45(67)61-41)10-6-7-19-51/h4-5,8-9,11-18,23,26-27,34,36-42,55,63-64H,6-7,10,19-22,24-25,51-53H2,1-3H3,(H2,54,65)(H,56,69)(H,57,70)(H,58,68)(H,59,66)(H,60,72)(H,61,67)(H,62,71)/t27-,34+,36+,37+,38-,39+,40-,41-,42+/m1/s1
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| InChIKey |
ORHYTCFHRHIZJL-DJJRCKLJSA-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