General Information of the Compound
| Compound ID |
CP0389769
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| Compound Name |
N,N'-bis[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]decanediamide
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| Structure |
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| Formula |
C46H54Cl2N10O2
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| Molecular Weight |
849.912
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| Canonical SMILES |
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)CCCCCCCCC(=O)NN2c3ccc(Cl)cc3N=C(N3CCN(C)CC3)c3ccccc23)c2ccccc12
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| InChI |
InChI=1S/C46H54Cl2N10O2/c1-53-23-27-55(28-24-53)45-35-13-9-11-15-39(35)57(41-21-19-33(47)31-37(41)49-45)51-43(59)17-7-5-3-4-6-8-18-44(60)52-58-40-16-12-10-14-36(40)46(56-29-25-54(2)26-30-56)50-38-32-34(48)20-22-42(38)58/h9-16,19-22,31-32H,3-8,17-18,23-30H2,1-2H3,(H,51,59)(H,52,60)
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| InChIKey |
IMQGRUDOQLCCRQ-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