General Information of the Compound
| Compound ID |
CP0859034
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| Compound Name |
[Sar1,Tdf6]AngII
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| Structure |
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| Formula |
C54H72F3N13O10
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| Molecular Weight |
1120.245
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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(C2(C(F)(F)F)N=N2)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
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| InChI |
InChI=1S/C54H72F3N13O10/c1-6-31(4)44(67-46(74)38(26-34-18-22-36(71)23-19-34)63-48(76)43(30(2)3)66-45(73)37(62-42(72)29-60-5)14-10-24-61-52(58)59)49(77)64-39(27-33-16-20-35(21-17-33)53(68-69-53)54(55,56)57)50(78)70-25-11-15-41(70)47(75)65-40(51(79)80)28-32-12-8-7-9-13-32/h7-9,12-13,16-23,30-31,37-41,43-44,60,71H,6,10-11,14-15,24-29H2,1-5H3,(H,62,72)(H,63,76)(H,64,77)(H,65,75)(H,66,73)(H,67,74)(H,79,80)(H4,58,59,61)/t31-,37-,38-,39-,40-,41-,43-,44-/m0/s1
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| InChIKey |
WLXZQUVFMNLJFO-PJHJYBEDSA-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