General Information of the Compound
| Compound ID |
CP0519484
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| Compound Name |
US9266876, 41
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| Structure |
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| Formula |
C29H25N7OS
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| Molecular Weight |
519.634
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| Canonical SMILES |
O=C(Cn1ccc2cccnc12)N1CCN(CC1)c1sc(nc1-c1nc2ccccc2[nH]1)-c1ccccc1
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| InChI |
InChI=1S/C29H25N7OS/c37-24(19-36-14-12-20-9-6-13-30-27(20)36)34-15-17-35(18-16-34)29-25(26-31-22-10-4-5-11-23(22)32-26)33-28(38-29)21-7-2-1-3-8-21/h1-14H,15-19H2,(H,31,32)
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| InChIKey |
BLNOIZDIEKTXNA-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