General Information of the Compound
| Compound ID |
CP0560672
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| Compound Name |
US8912224, 322
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| Structure |
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| Formula |
C26H28N4O4S
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| Molecular Weight |
492.601
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| Canonical SMILES |
CCc1ccccc1C1CCc2cc(Oc3ncc(s3)C(=O)NCCN3CCNC3=O)ccc2O1
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| InChI |
InChI=1S/C26H28N4O4S/c1-2-17-5-3-4-6-20(17)22-9-7-18-15-19(8-10-21(18)34-22)33-26-29-16-23(35-26)24(31)27-11-13-30-14-12-28-25(30)32/h3-6,8,10,15-16,22H,2,7,9,11-14H2,1H3,(H,27,31)(H,28,32)
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| InChIKey |
GPENRXSCCLMDGX-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