General Information of the Compound
| Compound ID |
CP0483675
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| Compound Name |
2-{[4-(diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}-5-({[6-oxo-6-({2-[2-(2-{4-[2-oxo-2-(6-oxo-5,6-dihydro-11H-pyrido[2,3-b][1,4]-benzodiazepin-11-yl)ethylpiperazin-1-yl}ethoxy)ethoxy]ethyl}amino)hexyl]amino}sulfonyl)]-benzene
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| Structure |
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| Formula |
C57H73N9O10S2
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| Molecular Weight |
1108.398
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| Canonical SMILES |
CCN(CC)c1ccc(cc1)[C+](c1ccc(cc1)N(CC)CC)c1ccc(cc1S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCOCCOCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
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| InChI |
InChI=1S/C57H73N9O10S2/c1-5-64(6-2)45-23-19-43(20-24-45)55(44-21-25-46(26-22-44)65(7-3)8-4)49-28-27-47(41-52(49)78(72,73)74)77(70,71)60-30-13-9-10-18-53(67)58-31-37-75-39-40-76-38-36-62-32-34-63(35-33-62)42-54(68)66-51-17-12-11-15-48(51)57(69)61-50-16-14-29-59-56(50)66/h11-12,14-17,19-29,41,60H,5-10,13,18,30-40,42H2,1-4H3,(H2-,58,61,67,69,72,73,74)
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| InChIKey |
JYHNZNLUGZBBDM-UHFFFAOYSA-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