General Information of the Compound
| Compound ID |
CP0480752
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| Compound Name |
US8912224, 134
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| Structure |
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| Formula |
C25H23N3O2S
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| Molecular Weight |
429.545
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| Canonical SMILES |
C(NCc1ccncc1)c1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C25H23N3O2S/c1-2-4-19(5-3-1)23-8-6-20-14-21(7-9-24(20)30-23)29-25-28-17-22(31-25)16-27-15-18-10-12-26-13-11-18/h1-5,7,9-14,17,23,27H,6,8,15-16H2
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| InChIKey |
HYQZOWKBOUKHIQ-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