General Information of the Compound
| Compound ID |
CP0854677
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| Compound Name |
Tfm-cyclo(DCys-Pal-DTrp-NMeLys-Thr-Cys)-Nal-NH2
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| Structure |
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| Formula |
C59H69F3N12O9S2
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| Molecular Weight |
1211.404
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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(C(F)(F)F)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O
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| InChI |
InChI=1S/C59H69F3N12O9S2/c1-33(75)50-57(82)72-48(54(79)68-44(51(65)76)26-35-16-19-37-11-3-4-12-38(37)24-35)32-85-84-31-47(71-52(77)42(64)25-34-17-20-40(21-18-34)59(60,61)62)55(80)69-45(27-36-10-9-23-66-29-36)53(78)70-46(28-39-30-67-43-14-6-5-13-41(39)43)58(83)74(2)49(56(81)73-50)15-7-8-22-63/h3-6,9-14,16-21,23-24,29-30,33,42,44-50,67,75H,7-8,15,22,25-28,31-32,63-64H2,1-2H3,(H2,65,76)(H,68,79)(H,69,80)(H,70,78)(H,71,77)(H,72,82)(H,73,81)/t33-,42+,44+,45+,46-,47+,48-,49+,50-/m1/s1
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| InChIKey |
UQOQHLQANAMPHV-PEVIHVDQSA-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