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Gene Set: D4 : Boss - vinblastine sulfate hydrate

Collection D4 : Boss
Chemical Name vinblastine sulfate hydrate ( From PubChem : VINBLASTINE SULFATE )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
909.053 g/mol 5 16 4.3597 False(2/4)
Structure
InChI InChI=1S/C46H58N4O9.H2O4S/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7;1-5(2,3)4/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3;(H2,1,2,3,4)/t28?,37?,38?,39-,42+,43-,44-,45+,46+;/m1./s1
InChIKey KDQAABAKXDWYSZ-NIDPWEDPSA-N
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Gene (28 / 28)


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Source Type Unit Value Gene PMID Assay Other
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BOSSText MiningCYCS
BOSSText MiningFAM109A
BOSSText MiningHBB
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BOSSText MiningPRDX2
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