General Information of the Compound
| Compound ID |
CP0913666
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| Compound Name |
(S)-1-((6S,9S,12S,15S,18S)-15,18-bis((1H-imidazol-5-yl)methyl)-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 |
C40H59N15O8
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| Molecular Weight |
878.009
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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](Cc1cnc[nH]1)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/C40H59N15O8/c1-22(2)33(54-35(59)27(50-32(57)19-44-3)6-4-12-47-40(42)43)38(62)52-28(14-23-8-10-26(56)11-9-23)36(60)51-29(15-24-17-45-20-48-24)37(61)53-30(16-25-18-46-21-49-25)39(63)55-13-5-7-31(55)34(41)58/h8-11,17-18,20-22,27-31,33,44,56H,4-7,12-16,19H2,1-3H3,(H2,41,58)(H,45,48)(H,46,49)(H,50,57)(H,51,60)(H,52,62)(H,53,61)(H,54,59)(H4,42,43,47)/t27-,28-,29-,30-,31-,33-/m0/s1
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| InChIKey |
FWZVIJITEDDOMU-YYTVJKPMSA-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