General Information of the Compound
| Compound ID |
CP0880603
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| Compound Name |
Cpa-cyclo(NMeDCys-Pal-DTrp-Lys-Thr-Cys)-Dip-NHMe
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| Structure |
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| Formula |
C61H73ClN12O9S2
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| Molecular Weight |
1217.917
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| Canonical SMILES |
CNC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@@H](N(C)C(=O)C(N)Cc2ccc(Cl)cc2)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)C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C61H73ClN12O9S2/c1-36(75)52-60(82)71-49(57(79)73-53(59(81)65-2)51(39-16-6-4-7-17-39)40-18-8-5-9-19-40)34-84-85-35-50(74(3)61(83)44(64)29-37-23-25-42(62)26-24-37)58(80)70-47(30-38-15-14-28-66-32-38)55(77)69-48(31-41-33-67-45-21-11-10-20-43(41)45)56(78)68-46(54(76)72-52)22-12-13-27-63/h4-11,14-21,23-26,28,32-33,36,44,46-53,67,75H,12-13,22,27,29-31,34-35,63-64H2,1-3H3,(H,65,81)(H,68,78)(H,69,77)(H,70,80)(H,71,82)(H,72,76)(H,73,79)/t36-,44?,46-,47-,48+,49-,50+,52+,53-/m0/s1
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| InChIKey |
YAYWDFOWCWBWEH-OYYDMNGWSA-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