General Information of the Compound
| Compound ID |
CP0845329
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| Compound Name |
[Sar1,Tdf7]AngII
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| Structure |
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| Formula |
C55H72F3N15O10
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| Molecular Weight |
1160.27
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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](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(C2(C(F)(F)F)N=N2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
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| InChI |
InChI=1S/C55H72F3N15O10/c1-6-31(4)45(71-49(79)40(24-34-16-20-37(74)21-17-34)67-50(80)44(30(2)3)70-46(76)38(65-43(75)28-61-5)13-10-22-63-53(59)60)51(81)68-41(26-36-27-62-29-64-36)48(78)66-39(47(77)69-42(52(82)83)25-32-11-8-7-9-12-32)23-33-14-18-35(19-15-33)54(72-73-54)55(56,57)58/h7-9,11-12,14-21,27,29-31,38-42,44-45,61,74H,6,10,13,22-26,28H2,1-5H3,(H,62,64)(H,65,75)(H,66,78)(H,67,80)(H,68,81)(H,69,77)(H,70,76)(H,71,79)(H,82,83)(H4,59,60,63)/t31-,38-,39-,40-,41-,42-,44-,45-/m0/s1
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| InChIKey |
SGNVIMKZLNQFQY-LTTXXCTBSA-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