General Information of the Compound
| Compound ID |
CP0849950
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| Compound Name |
FVPTDVGPFazaAF-NH2
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| Structure |
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| Formula |
C59H81N13O14
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| Molecular Weight |
1196.374
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| Canonical SMILES |
CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NN(C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C59H81N13O14/c1-33(2)47(66-52(79)42(31-46(75)76)64-57(84)49(35(5)73)68-55(82)44-25-17-27-72(44)58(85)48(34(3)4)67-51(78)39(60)28-36-18-10-7-11-19-36)56(83)62-32-45(74)71-26-16-24-43(71)54(81)63-41(30-38-22-14-9-15-23-38)53(80)69-70(6)59(86)65-40(50(61)77)29-37-20-12-8-13-21-37/h7-15,18-23,33-35,39-44,47-49,73H,16-17,24-32,60H2,1-6H3,(H2,61,77)(H,62,83)(H,63,81)(H,64,84)(H,65,86)(H,66,79)(H,67,78)(H,68,82)(H,69,80)(H,75,76)/t35-,39-,40+,41+,42+,43+,44+,47+,48+,49+/m1/s1
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| InChIKey |
OPKULHLQJWPMLE-TYNUJLMNSA-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