General Information of the Compound
| Compound ID |
CP0880716
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| Compound Name |
Pal-cyclo(DCys-Pal-DTrp-NMeLys-Thr-Cys)-DTrp-NH2
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| Structure |
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| Formula |
C55H68N14O9S2
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| Molecular Weight |
1133.372
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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)Cc2cccnc2)CSSC[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC1=O
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| InChI |
InChI=1S/C55H68N14O9S2/c1-31(70)47-54(77)67-45(51(74)63-41(48(58)71)23-34-27-61-39-15-5-3-13-36(34)39)30-80-79-29-44(66-49(72)38(57)21-32-11-9-19-59-25-32)52(75)64-42(22-33-12-10-20-60-26-33)50(73)65-43(24-35-28-62-40-16-6-4-14-37(35)40)55(78)69(2)46(53(76)68-47)17-7-8-18-56/h3-6,9-16,19-20,25-28,31,38,41-47,61-62,70H,7-8,17-18,21-24,29-30,56-57H2,1-2H3,(H2,58,71)(H,63,74)(H,64,75)(H,65,73)(H,66,72)(H,67,77)(H,68,76)/t31-,38-,41-,42-,43+,44-,45+,46-,47+/m0/s1
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| InChIKey |
GJVAKQGAMVAOPF-BNUPHMBQSA-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