General Information of the Compound
| Compound ID |
CP0441576
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| Compound Name |
US8912224, 2
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| Structure |
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| Formula |
C25H23N5O3S
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| Molecular Weight |
473.558
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| Canonical SMILES |
O=C(NCc1nnc2CCCn12)c1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C25H23N5O3S/c31-24(26-15-23-29-28-22-7-4-12-30(22)23)21-14-27-25(34-21)32-18-9-11-20-17(13-18)8-10-19(33-20)16-5-2-1-3-6-16/h1-3,5-6,9,11,13-14,19H,4,7-8,10,12,15H2,(H,26,31)
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| InChIKey |
FMETUUJKGDCDMN-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