General Information of the Compound
| Compound ID |
CP0518846
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| Compound Name |
US9125915, compound 7
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| Structure |
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| Formula |
C27H26N4O4S
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| Molecular Weight |
502.596
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| Canonical SMILES |
COC(=O)C[C@@H]1N=C(c2c(C)c(CO)sc2-n2c(C)nnc12)c1ccc(cc1)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C27H26N4O4S/c1-15-22(14-32)36-27-24(15)25(28-21(13-23(33)35-4)26-30-29-16(2)31(26)27)19-7-5-17(6-8-19)18-9-11-20(34-3)12-10-18/h5-12,21,32H,13-14H2,1-4H3/t21-/m0/s1
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| InChIKey |
RILNLUBNEAZMHA-NRFANRHFSA-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