General Information of the Compound
| Compound ID |
CP0529276
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| Compound Name |
US9266876, 9
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| Structure |
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| Formula |
C24H23N7OS
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| Molecular Weight |
457.563
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| Canonical SMILES |
Cc1nc2ccccn2c1CC(=O)N1CCN(CC1)c1scnc1-c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C24H23N7OS/c1-16-19(31-9-5-4-8-20(31)26-16)14-21(32)29-10-12-30(13-11-29)24-22(25-15-33-24)23-27-17-6-2-3-7-18(17)28-23/h2-9,15H,10-14H2,1H3,(H,27,28)
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| InChIKey |
QJAVQYQVZPRFTJ-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