General Information of the Compound
| Compound ID |
CP0909535
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| Compound Name |
(2S,5S,8S,11S,14S,17S)-2-((1H-imidazol-5-yl)methyl)-17-amino-5-benzyl-1-((S)-2-carbamoylpyrrolidin-1-yl)-14-(3-guanidinopropyl)-8-(4-hydroxybenzyl)-11-isopropyl-1,4,7,10,13,16-hexaoxo-3,6,9,12,15-pentaazanonadecan-19-oic acid
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| Structure |
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| Formula |
C44H61N13O10
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| Molecular Weight |
932.053
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| Canonical SMILES |
CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O
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| InChI |
InChI=1S/C44H61N13O10/c1-24(2)36(56-39(63)30(10-6-16-50-44(47)48)52-38(62)29(45)21-35(59)60)42(66)54-32(19-26-12-14-28(58)15-13-26)40(64)53-31(18-25-8-4-3-5-9-25)41(65)55-33(20-27-22-49-23-51-27)43(67)57-17-7-11-34(57)37(46)61/h3-5,8-9,12-15,22-24,29-34,36,58H,6-7,10-11,16-21,45H2,1-2H3,(H2,46,61)(H,49,51)(H,52,62)(H,53,64)(H,54,66)(H,55,65)(H,56,63)(H,59,60)(H4,47,48,50)/t29-,30-,31-,32-,33-,34-,36-/m0/s1
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| InChIKey |
SSIDUPTVTVKVSB-FKNKHIKMSA-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