General Information of the Compound
| Compound ID |
CP0921070
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| Compound Name |
N1,N31-bis(2-(2-(2-(2-(4-(4-((E)-3-(diaminomethyl-eneamino)-2-methyl-3-oxoprop-1-enyl)-2,6-difluo-rophenoxy)phenylsulfonamido)ethoxy)ethoxy)ethoxy)ethyl)-4,7,10,13,16,19,22,25,28-nonaoxahentriacontane-1,31-diamide
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| Structure |
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| Formula |
C29H39F2N5O9S
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| Molecular Weight |
671.72
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| Canonical SMILES |
COCCC(=O)NCCOCCOCCOCCNS(=O)(=O)c1ccc(Oc2c(F)cc(/C=C(\C)C(=O)N=C(N)N)cc2F)cc1
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| InChI |
InChI=1S/C29H39F2N5O9S/c1-20(28(38)36-29(32)33)17-21-18-24(30)27(25(31)19-21)45-22-3-5-23(6-4-22)46(39,40)35-9-12-43-14-16-44-15-13-42-11-8-34-26(37)7-10-41-2/h3-6,17-19,35H,7-16H2,1-2H3,(H,34,37)(H4,32,33,36,38)/b20-17+
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| InChIKey |
CAPURVUBLFSEMG-LVZFUZTISA-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