General Information of the Compound
| Compound ID |
CP0526112
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| Compound Name |
US9266876, 62
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| Structure |
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| Formula |
C25H23ClN6O2S
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| Molecular Weight |
507.019
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| Canonical SMILES |
COc1cc2n(CC(=O)N3CCN(CC3)c3scnc3-c3nc4ccccc4[nH]3)ccc2cc1Cl
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| InChI |
InChI=1S/C25H23ClN6O2S/c1-34-21-13-20-16(12-17(21)26)6-7-32(20)14-22(33)30-8-10-31(11-9-30)25-23(27-15-35-25)24-28-18-4-2-3-5-19(18)29-24/h2-7,12-13,15H,8-11,14H2,1H3,(H,28,29)
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| InChIKey |
NDRFYDLJLDDNSJ-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