General Information of the Compound
| Compound ID |
CP0504277
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| Compound Name |
1,20-bis[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]icosane-1,20-dione
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| Structure |
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| Formula |
C56H72Cl2N8O2
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| Molecular Weight |
960.152
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| Canonical SMILES |
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(C(=O)CCCCCCCCCCCCCCCCCCC(=O)N2c3ccc(Cl)cc3N=C(N3CCN(C)CC3)c3ccccc23)c2ccccc12
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| InChI |
InChI=1S/C56H72Cl2N8O2/c1-61-33-37-63(38-34-61)55-45-23-19-21-25-49(45)65(51-31-29-43(57)41-47(51)59-55)53(67)27-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-28-54(68)66-50-26-22-20-24-46(50)56(64-39-35-62(2)36-40-64)60-48-42-44(58)30-32-52(48)66/h19-26,29-32,41-42H,3-18,27-28,33-40H2,1-2H3
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| InChIKey |
ZEFYZPUKLTVHDT-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