General Information of the Compound
| Compound ID |
CP0943283
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| Compound Name |
SID131460344
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| Structure |
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| Formula |
C27H27N3O3S
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| Molecular Weight |
473.598
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| Canonical SMILES |
Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)N(C)c4ccc(-c5ccc(C#N)cc5)cc4[C@@H]32)cc1
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| InChI |
InChI=1S/C27H27N3O3S/c1-18-3-10-22(11-4-18)34(32,33)30-14-13-23-26(17-31)29(2)25-12-9-21(15-24(25)27(23)30)20-7-5-19(16-28)6-8-20/h3-12,15,23,26-27,31H,13-14,17H2,1-2H3/t23-,26+,27-/m1/s1
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| InChIKey |
OCTPJBYCZHYWPY-DURWQBQJSA-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