General Information of the Compound
| Compound ID |
CP0847417
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| Compound Name |
Cpa-cyclo(DCys-Pal-DTrp-NMeLys-Thr-Cys)-DTrp-NH2
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| Structure |
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| Formula |
C56H68ClN13O9S2
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| Molecular Weight |
1166.829
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| Canonical SMILES |
C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)N(C)C(=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](Cc2c[nH]c3ccccc23)C(N)=O)NC1=O
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| InChI |
InChI=1S/C56H68ClN13O9S2/c1-31(71)48-55(78)68-46(52(75)64-42(49(60)72)24-34-27-62-40-13-5-3-11-37(34)40)30-81-80-29-45(67-50(73)39(59)22-32-16-18-36(57)19-17-32)53(76)65-43(23-33-10-9-21-61-26-33)51(74)66-44(25-35-28-63-41-14-6-4-12-38(35)41)56(79)70(2)47(54(77)69-48)15-7-8-20-58/h3-6,9-14,16-19,21,26-28,31,39,42-48,62-63,71H,7-8,15,20,22-25,29-30,58-59H2,1-2H3,(H2,60,72)(H,64,75)(H,65,76)(H,66,74)(H,67,73)(H,68,78)(H,69,77)/t31-,39-,42-,43-,44+,45-,46+,47-,48+/m0/s1
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| InChIKey |
BOHSAABACOZNKD-HHBRSWSWSA-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