General Information of the Compound
| Compound ID |
CP0467404
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| Compound Name |
1,12-bis[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]dodecane-1,12-dione
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| Structure |
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| Formula |
C48H56Cl2N8O2
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| Molecular Weight |
847.936
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| Canonical SMILES |
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(C(=O)CCCCCCCCCCC(=O)N2c3ccc(Cl)cc3N=C(N3CCN(C)CC3)c3ccccc23)c2ccccc12
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| InChI |
InChI=1S/C48H56Cl2N8O2/c1-53-25-29-55(30-26-53)47-37-15-11-13-17-41(37)57(43-23-21-35(49)33-39(43)51-47)45(59)19-9-7-5-3-4-6-8-10-20-46(60)58-42-18-14-12-16-38(42)48(56-31-27-54(2)28-32-56)52-40-34-36(50)22-24-44(40)58/h11-18,21-24,33-34H,3-10,19-20,25-32H2,1-2H3
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| InChIKey |
RDOOBQQSMGKBRV-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