General Information of the Compound
| Compound ID |
CP0886292
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| Compound Name |
Cpa-cyclo(NMeDCys-Pal-DTrp-Lys-Thr-Cys)-Nal-NH2
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| Structure |
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| Formula |
C59H72N12O9S2
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| Molecular Weight |
1157.434
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| Canonical SMILES |
CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H]1CSSC[C@H](N(C)C(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2cccnc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]([C@H](C)O)C(=O)N1
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| InChI |
InChI=1S/C59H72N12O9S2/c1-35(72)51-58(79)69-49(56(77)66-46(52(73)62-2)28-37-22-23-39-17-7-8-18-40(39)26-37)33-81-82-34-50(71(3)59(80)43(61)27-36-14-5-4-6-15-36)57(78)68-47(29-38-16-13-25-63-31-38)54(75)67-48(30-41-32-64-44-20-10-9-19-42(41)44)55(76)65-45(53(74)70-51)21-11-12-24-60/h4-10,13-20,22-23,25-26,31-32,35,43,45-51,64,72H,11-12,21,24,27-30,33-34,60-61H2,1-3H3,(H,62,73)(H,65,76)(H,66,77)(H,67,75)(H,68,78)(H,69,79)(H,70,74)/t35-,43-,45-,46-,47-,48+,49+,50-,51+/m0/s1
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| InChIKey |
SKFKNQHPGPNIOI-CMVVUTCKSA-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