General Information of the Compound
| Compound ID |
CP0429411
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| Compound Name |
1,14-bis[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]tetradecane-1,14-dione
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| Structure |
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| Formula |
C50H60Cl2N8O2
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| Molecular Weight |
875.99
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| Canonical SMILES |
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(C(=O)CCCCCCCCCCCCC(=O)N2c3ccc(Cl)cc3N=C(N3CCN(C)CC3)c3ccccc23)c2ccccc12
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| InChI |
InChI=1S/C50H60Cl2N8O2/c1-55-27-31-57(32-28-55)49-39-17-13-15-19-43(39)59(45-25-23-37(51)35-41(45)53-49)47(61)21-11-9-7-5-3-4-6-8-10-12-22-48(62)60-44-20-16-14-18-40(44)50(58-33-29-56(2)30-34-58)54-42-36-38(52)24-26-46(42)60/h13-20,23-26,35-36H,3-12,21-22,27-34H2,1-2H3
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| InChIKey |
LZJTTWDDGBAYKY-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