General Information of the Compound
| Compound ID |
CP0961831
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| Compound Name |
(6,6-Dioxo-5,6-dihydro-6lambda6-thia-4,5-diaza-chrysen-12-yl)-(2-morpholin-4-yl-ethyl)-amine
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| Structure |
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| Formula |
C21H22N4O3S
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| Molecular Weight |
410.499
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| Canonical SMILES |
O=S1(=O)Nc2c(cc(NCCN3CCOCC3)c3cccnc23)-c2ccccc21
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| InChI |
InChI=1S/C21H22N4O3S/c26-29(27)19-6-2-1-4-15(19)17-14-18(22-8-9-25-10-12-28-13-11-25)16-5-3-7-23-20(16)21(17)24-29/h1-7,14,22,24H,8-13H2
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| InChIKey |
UUUZUUKIYGTKDS-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