General Information of the Compound
| Compound ID |
CP0964015
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| Compound Name |
N'-[2-Fluoro-5-(2-methyl-3,3-dioxo-1,2,3,4-tetrahydro-3lambda6-thia-2,4,5-triaza-phenanthren-1-yl)-benzyl]-N,N-dimethyl-ethane-1,2-diamine
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| Structure |
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| Formula |
C22H26FN5O2S
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| Molecular Weight |
443.548
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| Canonical SMILES |
CN(C)CCNCc1cc(C2c3ccc4cccnc4c3NS(=O)(=O)N2C)ccc1F
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| InChI |
InChI=1S/C22H26FN5O2S/c1-27(2)12-11-24-14-17-13-16(7-9-19(17)23)22-18-8-6-15-5-4-10-25-20(15)21(18)26-31(29,30)28(22)3/h4-10,13,22,24,26H,11-12,14H2,1-3H3
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| InChIKey |
UDPDZNTZBHHPSH-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