General Information of the Compound
| Compound ID |
CP0223432
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| Compound Name |
US8680275, 4
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| Structure |
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| Formula |
C25H22N4OS
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| Molecular Weight |
426.545
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| Canonical SMILES |
O=C(N1CCC2CN(C2C1)c1cnc2ccccc2n1)c1ccccc1-c1cccs1
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| InChI |
InChI=1S/C25H22N4OS/c30-25(19-7-2-1-6-18(19)23-10-5-13-31-23)28-12-11-17-15-29(22(17)16-28)24-14-26-20-8-3-4-9-21(20)27-24/h1-10,13-14,17,22H,11-12,15-16H2
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| InChIKey |
FKBFJEQPIKTRPN-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