General Information of the Compound
| Compound ID |
CP0868840
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| Compound Name |
(S)-1-((6S,9S,12S,15S,18S)-18-((1H-imidazol-5-yl)methyl)-6-(3-guanidinopropyl)-12-(4-hydroxybenzyl)-9,15-diisopropyl-4,7,10,13,16-pentaoxo-2,5,8,11,14,17-hexaazanonadecane)-N-((S)-1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C42H66N14O9
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| Molecular Weight |
911.079
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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](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O)C(C)C)C(C)C
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| InChI |
InChI=1S/C42H66N14O9/c1-22(2)33(54-36(60)28(51-32(58)20-46-6)9-7-15-48-42(44)45)39(63)52-29(17-25-11-13-27(57)14-12-25)37(61)55-34(23(3)4)40(64)53-30(18-26-19-47-21-49-26)41(65)56-16-8-10-31(56)38(62)50-24(5)35(43)59/h11-14,19,21-24,28-31,33-34,46,57H,7-10,15-18,20H2,1-6H3,(H2,43,59)(H,47,49)(H,50,62)(H,51,58)(H,52,63)(H,53,64)(H,54,60)(H,55,61)(H4,44,45,48)/t24-,28-,29-,30-,31-,33-,34-/m0/s1
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| InChIKey |
DZJVBEIZKSATPU-NXSMLHPHSA-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