General Information of the Compound
| Compound ID |
CP0140822
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| Compound Name |
US9546153, ex. 145
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| Structure |
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| Formula |
C22H21N5O2S
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| Molecular Weight |
419.51
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| Canonical SMILES |
CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@H](CO)c1ccccc1
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| InChI |
InChI=1S/C22H21N5O2S/c1-23-22(29)16-11-24-21(26-15-7-8-17-20(9-15)30-13-25-17)10-18(16)27-19(12-28)14-5-3-2-4-6-14/h2-11,13,19,28H,12H2,1H3,(H,23,29)(H2,24,26,27)/t19-/m1/s1
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| InChIKey |
SOQDSWCPJNRWBD-LJQANCHMSA-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