General Information of the Compound
| Compound ID |
CP0500064
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| Compound Name |
US9125915, compound 8
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| Structure |
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| Formula |
C26H25N5O2S
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| Molecular Weight |
471.586
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| Canonical SMILES |
COC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Nc2ccccc2)cc1
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| InChI |
InChI=1S/C26H25N5O2S/c1-15-16(2)34-26-23(15)24(18-10-12-20(13-11-18)27-19-8-6-5-7-9-19)28-21(14-22(32)33-4)25-30-29-17(3)31(25)26/h5-13,21,27H,14H2,1-4H3/t21-/m0/s1
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| InChIKey |
OOWCQDANWVVOPI-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