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Gene Set: D4 : Boss - unii-71wo621tjd


Collection D4 : Boss
Chemical Name unii-71wo621tjd ( From PubChem : VANCOMYCIN HCL )
FDA NPC WHO Indian Australia China Traditional
Herbal
Clinical
Trail
ApprovedNotApprovedApprovedApprovedApprovedNotNot
Molecular
Weight
Hydrogen Bond
Donor Count
Hydrogen Bond
Acceptor Count
cLogP Lipinski Rule
1485.71 g/mol 20 33 4.7346 False(1/4)
Structure
InChI InChI=1S/C66H75Cl2N9O24.ClH/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92;/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95);1H/t24-,34+,35-,42+,44-,46?,47?,48-,49+,50?,51+,52+,53+,54-,56+,57+,65-,66-;/m0./s1
InChIKey LCTORFDMHNKUSG-FINFEGLDSA-N
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Gene (44 / 44)


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