General Information of the Compound
| Compound ID |
CP0849626
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| Compound Name |
[Sar1,Bpa7]AngII
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| Structure |
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| Formula |
C60H77N13O11
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| Molecular Weight |
1156.356
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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(C(=O)c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
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| InChI |
InChI=1S/C60H77N13O11/c1-6-36(4)51(73-56(80)46(29-39-21-25-43(74)26-22-39)69-57(81)50(35(2)3)72-53(77)44(67-49(75)33-63-5)18-13-27-65-60(61)62)58(82)70-47(31-42-32-64-34-66-42)55(79)68-45(54(78)71-48(59(83)84)30-37-14-9-7-10-15-37)28-38-19-23-41(24-20-38)52(76)40-16-11-8-12-17-40/h7-12,14-17,19-26,32,34-36,44-48,50-51,63,74H,6,13,18,27-31,33H2,1-5H3,(H,64,66)(H,67,75)(H,68,79)(H,69,81)(H,70,82)(H,71,78)(H,72,77)(H,73,80)(H,83,84)(H4,61,62,65)/t36-,44-,45-,46-,47-,48-,50-,51-/m0/s1
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| InChIKey |
SBVNDSSUMLJCNQ-RUFDXANVSA-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