General Information of the Compound
| Compound ID |
CP0874452
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| Compound Name |
(S)-1-((6S,9S,12S,15S,18S)-18-((1H-imidazol-5-yl)methyl)-12,15-di-sec-butyl-6-(3-guanidinopropyl)-9-isopropyl-4,7,10,13,16-pentaoxo-2,5,8,11,14,17-hexaazanonadecane)-N-((2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C43H76N14O8
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| Molecular Weight |
917.171
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(N)=O
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| InChI |
InChI=1S/C43H76N14O8/c1-10-24(6)33(36(44)59)54-38(61)30-16-14-18-57(30)42(65)29(19-27-20-48-22-50-27)52-40(63)34(25(7)11-2)56-41(64)35(26(8)12-3)55-39(62)32(23(4)5)53-37(60)28(51-31(58)21-47-9)15-13-17-49-43(45)46/h20,22-26,28-30,32-35,47H,10-19,21H2,1-9H3,(H2,44,59)(H,48,50)(H,51,58)(H,52,63)(H,53,60)(H,54,61)(H,55,62)(H,56,64)(H4,45,46,49)/t24-,25-,26-,28-,29-,30-,32-,33-,34-,35-/m0/s1
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| InChIKey |
RGPJJWDHHVVIEM-MMYICMJWSA-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