General Information of the Compound
| Compound ID |
CP0868838
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| Compound Name |
(R)-2-((S)-1-((6S,9S,12S,15S,18S)-18-((1H-imidazol-5-yl)methyl)-6-(3-guanidinopropyl)-12-(4-hydroxybenzyl)-9-isopropyl-4,7,10,13,16-pentaoxo-15-propyl-2,5,8,11,14,17-hexaazanonadecane)pyrrolidine-2-carboxamido)propanoic acid
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| Structure |
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| Formula |
C42H65N13O10
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| Molecular Weight |
912.063
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| Canonical SMILES |
CCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)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/C42H65N13O10/c1-6-9-28(35(58)53-31(19-26-20-46-22-48-26)40(63)55-17-8-11-32(55)38(61)49-24(4)41(64)65)51-37(60)30(18-25-12-14-27(56)15-13-25)52-39(62)34(23(2)3)54-36(59)29(50-33(57)21-45-5)10-7-16-47-42(43)44/h12-15,20,22-24,28-32,34,45,56H,6-11,16-19,21H2,1-5H3,(H,46,48)(H,49,61)(H,50,57)(H,51,60)(H,52,62)(H,53,58)(H,54,59)(H,64,65)(H4,43,44,47)/t24-,28+,29+,30+,31+,32+,34+/m1/s1
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| InChIKey |
KFHMOTKSCQJKEO-OZNWQLNKSA-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