General Information of the Compound
| Compound ID |
CP0944893
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| Compound Name |
{2-[4-(6,6-Dioxo-5,6-dihydro-6lambda6-thia-4,5-diaza-chrysen-12-yl)-piperazin-1-yl]-ethyl}-dimethyl-amine
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| Structure |
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| Formula |
C23H27N5O2S
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| Molecular Weight |
437.569
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| Canonical SMILES |
CN(C)CCN1CCN(c2cc3c(c4ncccc24)NS(=O)(=O)c2ccccc2-3)CC1
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| InChI |
InChI=1S/C23H27N5O2S/c1-26(2)10-11-27-12-14-28(15-13-27)20-16-19-17-6-3-4-8-21(17)31(29,30)25-23(19)22-18(20)7-5-9-24-22/h3-9,16,25H,10-15H2,1-2H3
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| InChIKey |
VJFXZKMUZCRZGO-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