General Information of the Compound
| Compound ID |
CP0526107
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| Compound Name |
US9266876, 29
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| Structure |
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| Formula |
C24H22ClN7O2S
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| Molecular Weight |
508.007
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| Canonical SMILES |
Cn1c2ccccc2n(CC(=O)N2CCN(CC2)c2scnc2-c2nc3c(Cl)cccc3[nH]2)c1=O
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| InChI |
InChI=1S/C24H22ClN7O2S/c1-29-17-7-2-3-8-18(17)32(24(29)34)13-19(33)30-9-11-31(12-10-30)23-21(26-14-35-23)22-27-16-6-4-5-15(25)20(16)28-22/h2-8,14H,9-13H2,1H3,(H,27,28)
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| InChIKey |
GCVYTRNWUUIZHL-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