General Information of the Compound
| Compound ID |
CP0883975
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| Compound Name |
(S)-1-((6S,9S,12S,15S,18S)-18-((1H-imidazol-5-yl)methyl)-15-benzyl-6-(3-guanidinopropyl)-12-(4-hydroxybenzyl)-9-isopropyl-4,7,10,13,16-pentaoxo-2,5,8,11,14,17-hexaazanonadecane)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C43H61N13O8
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| Molecular Weight |
888.044
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| Canonical SMILES |
CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)C
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| InChI |
InChI=1S/C43H61N13O8/c1-25(2)36(55-38(60)30(51-35(58)23-47-3)11-7-17-49-43(45)46)41(63)53-32(20-27-13-15-29(57)16-14-27)39(61)52-31(19-26-9-5-4-6-10-26)40(62)54-33(21-28-22-48-24-50-28)42(64)56-18-8-12-34(56)37(44)59/h4-6,9-10,13-16,22,24-25,30-34,36,47,57H,7-8,11-12,17-21,23H2,1-3H3,(H2,44,59)(H,48,50)(H,51,58)(H,52,61)(H,53,63)(H,54,62)(H,55,60)(H4,45,46,49)/t30-,31-,32-,33-,34-,36-/m0/s1
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| InChIKey |
HKOQPOOHYNZDKK-PITCCTKHSA-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: PT01197, Type-1 angiotensin II receptor
Protein ID: PT04214, Type-1 angiotensin II receptor A