General Information of the Compound
| Compound ID |
CP0544096
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| Compound Name |
US8912224, 145
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| Structure |
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| Formula |
C29H30N4O3S
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| Molecular Weight |
514.651
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| Canonical SMILES |
C(NCc1cccnc1N1CCOCC1)c1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C29H30N4O3S/c1-2-5-21(6-3-1)26-10-8-22-17-24(9-11-27(22)36-26)35-29-32-20-25(37-29)19-30-18-23-7-4-12-31-28(23)33-13-15-34-16-14-33/h1-7,9,11-12,17,20,26,30H,8,10,13-16,18-19H2
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| InChIKey |
OIXUNWKWSUQAGU-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