General Information of the Compound
| Compound ID |
CP0499903
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| Compound Name |
US8912224, 156
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| Structure |
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| Formula |
C26H23N5O2S
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| Molecular Weight |
469.57
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| Canonical SMILES |
C(NCc1nnc2ccccn12)c1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C26H23N5O2S/c1-2-6-18(7-3-1)22-11-9-19-14-20(10-12-23(19)33-22)32-26-28-16-21(34-26)15-27-17-25-30-29-24-8-4-5-13-31(24)25/h1-8,10,12-14,16,22,27H,9,11,15,17H2
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| InChIKey |
LBBQSLBCIHYVGJ-UHFFFAOYSA-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