General Information of the Compound
| Compound ID |
CP0952471
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| Compound Name |
(12-Chloro-6,6-dioxo-5,6-dihydro-6lambda6-thia-4,5-diaza-chrysen-9-yl)-(2-methoxy-ethyl)-amine
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| Structure |
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| Formula |
C18H16ClN3O3S
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| Molecular Weight |
389.864
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| Canonical SMILES |
COCCNc1ccc2c(c1)-c1cc(Cl)c3cccnc3c1NS2(=O)=O
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| InChI |
InChI=1S/C18H16ClN3O3S/c1-25-8-7-20-11-4-5-16-13(9-11)14-10-15(19)12-3-2-6-21-17(12)18(14)22-26(16,23)24/h2-6,9-10,20,22H,7-8H2,1H3
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| InChIKey |
MBHFZWBLUDGHPK-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