General Information of the Compound
| Compound ID |
CP0868846
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| Compound Name |
(R)-2-((S)-1-((6S,9S,12S,15S,18S)-18-((1H-imidazol-5-yl)methyl)-12-benzyl-15-sec-butyl-6-(3-guanidinopropyl)-9-isopropyl-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 |
C43H67N13O9
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| Molecular Weight |
910.091
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)O
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| InChI |
InChI=1S/C43H67N13O9/c1-7-25(4)35(40(62)53-31(20-28-21-47-23-49-28)41(63)56-18-12-16-32(56)38(60)50-26(5)42(64)65)55-37(59)30(19-27-13-9-8-10-14-27)52-39(61)34(24(2)3)54-36(58)29(51-33(57)22-46-6)15-11-17-48-43(44)45/h8-10,13-14,21,23-26,29-32,34-35,46H,7,11-12,15-20,22H2,1-6H3,(H,47,49)(H,50,60)(H,51,57)(H,52,61)(H,53,62)(H,54,58)(H,55,59)(H,64,65)(H4,44,45,48)/t25-,26+,29-,30-,31-,32-,34-,35-/m0/s1
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| InChIKey |
TWJHLFTWZPQBGL-IDBRVYLJSA-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