General Information of the Compound
| Compound ID |
CP0529034
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| Compound Name |
US8680275, 1
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| Structure |
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| Formula |
C23H24N4OS
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| Molecular Weight |
404.539
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| Canonical SMILES |
Cc1cc(C)nc(n1)N1CC2CCN(CC12)C(=O)c1ccccc1-c1cccs1
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| InChI |
InChI=1S/C23H24N4OS/c1-15-12-16(2)25-23(24-15)27-13-17-9-10-26(14-20(17)27)22(28)19-7-4-3-6-18(19)21-8-5-11-29-21/h3-8,11-12,17,20H,9-10,13-14H2,1-2H3
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| InChIKey |
GFFAVKDUYBZUHO-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