General Information of the Compound
| Compound ID |
CP0887734
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| Compound Name |
(S)-2-((S)-1-((3S,6S,9S,12S,15S,18S)-18-((1H-imidazol-5-yl)methyl)-6-(3-guanidinopropyl)-12-(4-hydroxybenzyl)-9,15-diisopropyl-3-methyl-4,7,10,13,16-pentaoxo-2,5,8,11,14,17-hexaazanonadecane)pyrrolidine-2-carboxamido)propanoic acid
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| Structure |
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| Formula |
C43H67N13O10
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| Molecular Weight |
926.09
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| Canonical SMILES |
CN[C@@H](C)C(=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](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C
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| InChI |
InChI=1S/C43H67N13O10/c1-22(2)33(54-36(59)29(10-8-16-48-43(44)45)51-35(58)24(5)46-7)39(62)52-30(18-26-12-14-28(57)15-13-26)37(60)55-34(23(3)4)40(63)53-31(19-27-20-47-21-49-27)41(64)56-17-9-11-32(56)38(61)50-25(6)42(65)66/h12-15,20-25,29-34,46,57H,8-11,16-19H2,1-7H3,(H,47,49)(H,50,61)(H,51,58)(H,52,62)(H,53,63)(H,54,59)(H,55,60)(H,65,66)(H4,44,45,48)/t24-,25-,29-,30-,31-,32-,33-,34-/m0/s1
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| InChIKey |
UPXIHCAJCSXOCU-FDRYRYEMSA-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