General Information of the Compound
| Compound ID |
CP0847340
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| Compound Name |
Cpa-cyclo(DCys-Pal-DTrp-Lys-Thr-Cys)-Nal-NH2
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| Structure |
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| Formula |
C57H67ClN12O9S2
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| Molecular Weight |
1163.825
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| Canonical SMILES |
C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O
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| InChI |
InChI=1S/C57H67ClN12O9S2/c1-32(71)49-57(79)69-48(55(77)65-44(50(61)72)25-34-15-18-36-10-2-3-11-37(36)23-34)31-81-80-30-47(68-51(73)41(60)24-33-16-19-39(58)20-17-33)56(78)66-45(26-35-9-8-22-62-28-35)53(75)67-46(27-38-29-63-42-13-5-4-12-40(38)42)54(76)64-43(52(74)70-49)14-6-7-21-59/h2-5,8-13,15-20,22-23,28-29,32,41,43-49,63,71H,6-7,14,21,24-27,30-31,59-60H2,1H3,(H2,61,72)(H,64,76)(H,65,77)(H,66,78)(H,67,75)(H,68,73)(H,69,79)(H,70,74)/t32-,41-,43-,44-,45-,46+,47-,48+,49+/m0/s1
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| InChIKey |
PDOUJSYSARKFTN-PIUBAMQRSA-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: PT00930, Somatostatin receptor type 1
Protein ID: PT01505, Somatostatin receptor type 2
Protein ID: PT01693, Somatostatin receptor type 3
Protein ID: PT01398, Somatostatin receptor type 4
Protein ID: PT01196, Somatostatin receptor type 5