General Information of the Compound
| Compound ID |
CP0845328
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| Compound Name |
[Sar1,Bpa5]AngII
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| Structure |
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| Formula |
C59H73N13O11
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| Molecular Weight |
1140.313
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| Canonical SMILES |
CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C
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| InChI |
InChI=1S/C59H73N13O11/c1-35(2)50(71-52(76)43(66-49(74)33-62-3)16-10-26-64-59(60)61)56(80)68-45(29-38-20-24-42(73)25-21-38)53(77)67-44(28-37-18-22-40(23-19-37)51(75)39-14-8-5-9-15-39)54(78)69-46(31-41-32-63-34-65-41)57(81)72-27-11-17-48(72)55(79)70-47(58(82)83)30-36-12-6-4-7-13-36/h4-9,12-15,18-25,32,34-35,43-48,50,62,73H,10-11,16-17,26-31,33H2,1-3H3,(H,63,65)(H,66,74)(H,67,77)(H,68,80)(H,69,78)(H,70,79)(H,71,76)(H,82,83)(H4,60,61,64)/t43-,44-,45-,46-,47-,48-,50-/m0/s1
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| InChIKey |
HJAYKLRIAQENCG-NLHFOPIXSA-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