General Information of the Compound
| Compound ID |
CP0560909
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| Compound Name |
US9598415, 146
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| Structure |
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| Formula |
C24H28N8O3S
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| Molecular Weight |
508.608
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n(C(C)C)c2=O)-c2cncnc2C(C)C)nc1
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| InChI |
InChI=1S/C24H28N8O3S/c1-6-36(34,35)17-8-7-16(26-10-17)9-27-22-24(33)32(15(4)5)23-19(30-22)12-28-21(31-23)18-11-25-13-29-20(18)14(2)3/h7-8,10-15H,6,9H2,1-5H3,(H,27,30)
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| InChIKey |
SOJVINDXUAZELV-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