General Information of the Compound
| Compound ID |
CP0849627
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| Compound Name |
[Sar1,Bpa6]AngII
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| Structure |
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| Formula |
C59H77N11O11
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| Molecular Weight |
1116.331
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| Canonical SMILES |
CC[C@H](C)[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](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
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| InChI |
InChI=1S/C59H77N11O11/c1-6-36(4)50(69-53(75)44(31-39-23-27-42(71)28-24-39)65-55(77)49(35(2)3)68-52(74)43(64-48(72)34-62-5)19-13-29-63-59(60)61)56(78)66-45(32-38-21-25-41(26-22-38)51(73)40-17-11-8-12-18-40)57(79)70-30-14-20-47(70)54(76)67-46(58(80)81)33-37-15-9-7-10-16-37/h7-12,15-18,21-28,35-36,43-47,49-50,62,71H,6,13-14,19-20,29-34H2,1-5H3,(H,64,72)(H,65,77)(H,66,78)(H,67,76)(H,68,74)(H,69,75)(H,80,81)(H4,60,61,63)/t36-,43-,44-,45-,46-,47-,49-,50-/m0/s1
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| InChIKey |
POSUCKBOIUNSAC-KYOUMEAESA-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