General Information of the Compound
| Compound ID |
CP0845320
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| Compound Name |
[Sar1,Tdf5]AngII
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| Structure |
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| Formula |
C54H68F3N15O10
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| Molecular Weight |
1144.227
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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(C2(C(F)(F)F)N=N2)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/C54H68F3N15O10/c1-30(2)44(69-45(75)37(64-43(74)28-60-3)11-7-21-62-52(58)59)49(79)66-39(24-33-15-19-36(73)20-16-33)46(76)65-38(23-32-13-17-34(18-14-32)53(70-71-53)54(55,56)57)47(77)67-40(26-35-27-61-29-63-35)50(80)72-22-8-12-42(72)48(78)68-41(51(81)82)25-31-9-5-4-6-10-31/h4-6,9-10,13-20,27,29-30,37-42,44,60,73H,7-8,11-12,21-26,28H2,1-3H3,(H,61,63)(H,64,74)(H,65,76)(H,66,79)(H,67,77)(H,68,78)(H,69,75)(H,81,82)(H4,58,59,62)/t37-,38-,39-,40-,41-,42-,44-/m0/s1
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| InChIKey |
SNWKXBZXLCHRMD-PSTHHSQNSA-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