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Gene Set: D4 : CTD - caspofungin

Collection D4 : CTD
Chemical Name caspofungin ( From PubChem : CASPOFUNGIN )
FDA NPC WHO Indian Australia China Traditional
Herbal		 Clinical
Trail
NotNotNotNotNotNotNotNot
Molecular
Weight		 Hydrogen Bond
Donor Count		 Hydrogen Bond
Acceptor Count		 cLogP Lipinski Rule
1093.31 g/mol 16 25 0.0615 False(1/4)
Structure
InChI InChI=1S/C52H88N10O15/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75)/t28?,29?,30-,33-,34+,35?,36-,37+,38-,40?,41?,42?,43?,44+,45+,46-/m1/s1
InChIKey JYIKNQVWKBUSNH-QMCTUSTOSA-N
Links

Gene (1 / 1)


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Source Type Unit Value Gene PMID Assay Other
CTDdecreases(activity)HNMT
C105417
Download gene sets gmt, text, Detailed text
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