General Information of the Compound
| Compound ID |
CP0557612
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| Compound Name |
US8912224, 83
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| Structure |
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| Formula |
C29H28N4O4S
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| Molecular Weight |
528.634
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| Canonical SMILES |
O=C(NCc1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1)c1ccnc(c1)N1CCOCC1
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| InChI |
InChI=1S/C29H28N4O4S/c34-28(22-10-11-30-27(17-22)33-12-14-35-15-13-33)31-18-24-19-32-29(38-24)36-23-7-9-26-21(16-23)6-8-25(37-26)20-4-2-1-3-5-20/h1-5,7,9-11,16-17,19,25H,6,8,12-15,18H2,(H,31,34)
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| InChIKey |
BZKGNMIRDONLAT-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