General Information of the Compound
| Compound ID |
CP0565021
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| Compound Name |
US8912224, 26
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| Structure |
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| Formula |
C30H30N4O3S
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| Molecular Weight |
526.662
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| Canonical SMILES |
CN(Cc1ccnc(c1)N1CCCC1)C(=O)c1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C30H30N4O3S/c1-33(20-21-13-14-31-28(17-21)34-15-5-6-16-34)29(35)27-19-32-30(38-27)36-24-10-12-26-23(18-24)9-11-25(37-26)22-7-3-2-4-8-22/h2-4,7-8,10,12-14,17-19,25H,5-6,9,11,15-16,20H2,1H3
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| InChIKey |
UPUITPHAGPXZHJ-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