General Information of the Compound
| Compound ID |
CP0938227
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| Compound Name |
N1,N4-bis(20-(4-(4-((E)-3-(diaminomethylene-amino)-2-methyl-3-oxoprop-1-enyl)-2,6-difluo-rophenoxy)phenylsulfonamido)-3,6,9,12,15,18-hexaoxaicosyl)-2,3-dihydroxysuccinamide
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| Structure |
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| Formula |
C66H92F4N10O24S2
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| Molecular Weight |
1549.634
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| Canonical SMILES |
C/C(=C\c1cc(F)c(Oc2ccc(S(=O)(=O)NCCOCCOCCOCCOCCOCCOCCNC(=O)C(O)C(O)C(=O)NCCOCCOCCOCCOCCOCCOCCNS(=O)(=O)c3ccc(Oc4c(F)cc(/C=C(\C)C(=O)N=C(N)N)cc4F)cc3)cc2)c(F)c1)C(=O)N=C(N)N
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| InChI |
InChI=1S/C66H92F4N10O24S2/c1-45(61(83)79-65(71)72)39-47-41-53(67)59(54(68)42-47)103-49-3-7-51(8-4-49)105(87,88)77-13-17-93-21-25-97-29-33-101-37-35-99-31-27-95-23-19-91-15-11-75-63(85)57(81)58(82)64(86)76-12-16-92-20-24-96-28-32-100-36-38-102-34-30-98-26-22-94-18-14-78-106(89,90)52-9-5-50(6-10-52)104-60-55(69)43-48(44-56(60)70)40-46(2)62(84)80-66(73)74/h3-10,39-44,57-58,77-78,81-82H,11-38H2,1-2H3,(H,75,85)(H,76,86)(H4,71,72,79,83)(H4,73,74,80,84)/b45-39+,46-40+
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| InChIKey |
ZNMHSIDKSDXRIU-JUWAPXIKSA-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