General Information of the Compound
| Compound ID |
CP0902700
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| Compound Name |
Nal-cyclo(DCys-Pal-DTrp-NMeLys-Thr-Cys)-DTrp-NH2
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| Structure |
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| Formula |
C60H71N13O9S2
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| Molecular Weight |
1182.444
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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)Cc2ccc3ccccc3c2)CSSC[C@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC1=O
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| InChI |
InChI=1S/C60H71N13O9S2/c1-34(74)52-59(81)71-50(56(78)67-46(53(63)75)27-39-30-65-44-17-7-5-15-41(39)44)33-84-83-32-49(70-54(76)43(62)25-35-20-21-37-13-3-4-14-38(37)24-35)57(79)68-47(26-36-12-11-23-64-29-36)55(77)69-48(28-40-31-66-45-18-8-6-16-42(40)45)60(82)73(2)51(58(80)72-52)19-9-10-22-61/h3-8,11-18,20-21,23-24,29-31,34,43,46-52,65-66,74H,9-10,19,22,25-28,32-33,61-62H2,1-2H3,(H2,63,75)(H,67,78)(H,68,79)(H,69,77)(H,70,76)(H,71,81)(H,72,80)/t34-,43-,46-,47-,48+,49-,50+,51-,52+/m0/s1
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| InChIKey |
CAOPMDVFFKIBHG-WKHKIOIGSA-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