General Information of the Compound
| Compound ID |
CP0912534
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| Compound Name |
Cpa-cyclo(DCys-Pal-NMeDTrp-NMeLys-Thr-Cys)-Nal-NH2
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| Structure |
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| Formula |
C59H71ClN12O9S2
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| Molecular Weight |
1191.879
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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)N(C)C(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(Cl)cc2)CSSC[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O
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| InChI |
InChI=1S/C59H71ClN12O9S2/c1-34(73)51-57(79)69-48(54(76)66-45(52(63)74)27-36-17-20-38-12-4-5-13-39(38)25-36)33-83-82-32-47(68-53(75)43(62)26-35-18-21-41(60)22-19-35)55(77)67-46(28-37-11-10-24-64-30-37)58(80)72(3)50(29-40-31-65-44-15-7-6-14-42(40)44)59(81)71(2)49(56(78)70-51)16-8-9-23-61/h4-7,10-15,17-22,24-25,30-31,34,43,45-51,65,73H,8-9,16,23,26-29,32-33,61-62H2,1-3H3,(H2,63,74)(H,66,76)(H,67,77)(H,68,75)(H,69,79)(H,70,78)/t34-,43-,45-,46-,47-,48+,49-,50+,51+/m0/s1
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| InChIKey |
YJWANTNZRKLFSZ-SCMDRVECSA-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