General Information of the Compound
| Compound ID |
CP0434900
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| Compound Name |
N,N'-bis[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]octadecanediamide
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| Structure |
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| Formula |
C54H70Cl2N10O2
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| Molecular Weight |
962.128
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| Canonical SMILES |
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2N(NC(=O)CCCCCCCCCCCCCCCCC(=O)NN2c3ccc(Cl)cc3N=C(N3CCN(C)CC3)c3ccccc23)c2ccccc12
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| InChI |
InChI=1S/C54H70Cl2N10O2/c1-61-31-35-63(36-32-61)53-43-21-17-19-23-47(43)65(49-29-27-41(55)39-45(49)57-53)59-51(67)25-15-13-11-9-7-5-3-4-6-8-10-12-14-16-26-52(68)60-66-48-24-20-18-22-44(48)54(64-37-33-62(2)34-38-64)58-46-40-42(56)28-30-50(46)66/h17-24,27-30,39-40H,3-16,25-26,31-38H2,1-2H3,(H,59,67)(H,60,68)
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| InChIKey |
HOCFXPGDVOXFNP-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