General Information of the Compound
| Compound ID |
CP0951233
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| Compound Name |
(R)-2-((S)-1-((6S,9S,12S,15S,18S)-18-((1H-imidazol-5-yl)methyl)-15-sec-butyl-12-(3-fluoro-4-hydroxybenzyl)-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 |
C43H66FN13O10
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| Molecular Weight |
944.08
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)c(F)c1)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/C43H66FN13O10/c1-7-23(4)35(40(64)54-30(18-26-19-48-21-50-26)41(65)57-15-9-11-31(57)38(62)51-24(5)42(66)67)56-37(61)29(17-25-12-13-32(58)27(44)16-25)53-39(63)34(22(2)3)55-36(60)28(52-33(59)20-47-6)10-8-14-49-43(45)46/h12-13,16,19,21-24,28-31,34-35,47,58H,7-11,14-15,17-18,20H2,1-6H3,(H,48,50)(H,51,62)(H,52,59)(H,53,63)(H,54,64)(H,55,60)(H,56,61)(H,66,67)(H4,45,46,49)/t23-,24+,28-,29-,30-,31-,34-,35-/m0/s1
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| InChIKey |
IKRYGLXCMLXVTG-RKMSMNQNSA-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