General Information of the Compound
| Compound ID |
CP0847290
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| Compound Name |
Cpa-cyclo(DCys-Pal-DTrp-DDap-Thr-Cys)-Nal-NH2
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| Structure |
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| Formula |
C54H61ClN12O9S2
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| Molecular Weight |
1121.744
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| Canonical SMILES |
C[C@H](O)[C@H]1NC(=O)C(N)CNC(=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/C54H61ClN12O9S2/c1-29(68)46-54(76)66-45(52(74)62-41(47(58)69)21-31-12-15-33-8-2-3-9-34(33)19-31)28-78-77-27-44(65-48(70)38(56)20-30-13-16-36(55)17-14-30)53(75)63-42(22-32-7-6-18-59-24-32)51(73)64-43(50(72)61-26-39(57)49(71)67-46)23-35-25-60-40-11-5-4-10-37(35)40/h2-19,24-25,29,38-39,41-46,60,68H,20-23,26-28,56-57H2,1H3,(H2,58,69)(H,61,72)(H,62,74)(H,63,75)(H,64,73)(H,65,70)(H,66,76)(H,67,71)/t29-,38-,39?,41-,42-,43+,44-,45+,46+/m0/s1
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| InChIKey |
QWYIBKNSFVTYCY-KBWUYKBHSA-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