General Information of the Compound
| Compound ID |
CP0515137
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| Compound Name |
US8680275, 173
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| Structure |
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| Formula |
C24H27N5OS
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| Molecular Weight |
433.581
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| Canonical SMILES |
Cc1nc(C(=O)N2CC[C@H]3CN([C@H]3C2)c2nc(C)cc(C)n2)c(s1)-c1ccc(C)cc1
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| InChI |
InChI=1S/C24H27N5OS/c1-14-5-7-18(8-6-14)22-21(27-17(4)31-22)23(30)28-10-9-19-12-29(20(19)13-28)24-25-15(2)11-16(3)26-24/h5-8,11,19-20H,9-10,12-13H2,1-4H3/t19-,20-/m0/s1
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| InChIKey |
AAOIVEBXZWDLKP-PMACEKPBSA-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