General Information of the Compound
| Compound ID |
CP0874508
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| Compound Name |
(S)-1-((6S,9S,15S,18S)-18-((1H-imidazol-5-yl)methyl)-6-(3-guanidinopropyl)-9,15-diisopropyl-4,7,10,13,16-pentaoxo-2,5,8,11,14,17-hexaazanonadecane)-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C34H58N14O8
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| Molecular Weight |
790.928
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| Canonical SMILES |
CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O)C(C)C)C(C)C
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| InChI |
InChI=1S/C34H58N14O8/c1-18(2)27(47-29(52)21(44-25(50)15-38-5)8-6-10-40-34(36)37)31(54)42-16-26(51)46-28(19(3)4)32(55)45-22(12-20-13-39-17-43-20)33(56)48-11-7-9-23(48)30(53)41-14-24(35)49/h13,17-19,21-23,27-28,38H,6-12,14-16H2,1-5H3,(H2,35,49)(H,39,43)(H,41,53)(H,42,54)(H,44,50)(H,45,55)(H,46,51)(H,47,52)(H4,36,37,40)/t21-,22-,23-,27-,28-/m0/s1
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| InChIKey |
LONHSJPQMVJGLT-ZCBIBPQVSA-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