General Information of the Compound
| Compound ID |
CP0917823
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| Compound Name |
NMeCpa-cyclo(DCys-Pal-DTrp-Lys-Thr-Cys)-Nal-NH2
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| Structure |
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| Formula |
C58H69ClN12O9S2
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| Molecular Weight |
1177.852
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| Canonical SMILES |
CN[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@H]1CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccnc2)NC1=O
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| InChI |
InChI=1S/C58H69ClN12O9S2/c1-33(72)50-58(80)70-49(56(78)66-44(51(61)73)26-35-16-19-37-11-3-4-12-38(37)24-35)32-82-81-31-48(69-53(75)45(62-2)25-34-17-20-40(59)21-18-34)57(79)67-46(27-36-10-9-23-63-29-36)54(76)68-47(28-39-30-64-42-14-6-5-13-41(39)42)55(77)65-43(52(74)71-50)15-7-8-22-60/h3-6,9-14,16-21,23-24,29-30,33,43-50,62,64,72H,7-8,15,22,25-28,31-32,60H2,1-2H3,(H2,61,73)(H,65,77)(H,66,78)(H,67,79)(H,68,76)(H,69,75)(H,70,80)(H,71,74)/t33-,43-,44-,45-,46-,47+,48-,49+,50+/m0/s1
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| InChIKey |
RBIZCBUWXBSJIE-BTGDNJPVSA-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