General Information of the Compound
| Compound ID |
CP0574622
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| Compound Name |
2-(dimethylamino)ethyl 4-[4-[[4-[2-(methylcarbamoyl)anilino]pyrimidin-2-yl]amino]benzoyl]piperazine-1-carbodithioate
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| Structure |
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| Formula |
C28H34N8O2S2
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| Molecular Weight |
578.768
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| Canonical SMILES |
CNC(=O)c1ccccc1Nc1ccnc(Nc2ccc(cc2)C(=O)N2CCN(CC2)C(=S)SCCN(C)C)n1
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| InChI |
InChI=1S/C28H34N8O2S2/c1-29-25(37)22-6-4-5-7-23(22)32-24-12-13-30-27(33-24)31-21-10-8-20(9-11-21)26(38)35-14-16-36(17-15-35)28(39)40-19-18-34(2)3/h4-13H,14-19H2,1-3H3,(H,29,37)(H2,30,31,32,33)
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| InChIKey |
KQBOVKMESRRNOP-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