General Information of the Compound
| Compound ID |
CP0538882
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| Compound Name |
US9125915, compound 9
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| Structure |
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| Formula |
C27H27N5O2S
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| Molecular Weight |
485.613
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| Canonical SMILES |
COC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(NCc2ccccc2)cc1
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| InChI |
InChI=1S/C27H27N5O2S/c1-16-17(2)35-27-24(16)25(29-22(14-23(33)34-4)26-31-30-18(3)32(26)27)20-10-12-21(13-11-20)28-15-19-8-6-5-7-9-19/h5-13,22,28H,14-15H2,1-4H3/t22-/m0/s1
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| InChIKey |
FOKWGPXYCGQWPL-QFIPXVFZSA-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