General Information of the Compound
| Compound ID |
CP0490951
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| Compound Name |
US9266876, 159
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| Structure |
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| Formula |
C24H24N8O2S
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| Molecular Weight |
488.577
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1scnc1-c1nc2ccc(CO)cc2[nH]1
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| InChI |
InChI=1S/C24H24N8O2S/c1-15-10-30(7-8-32(15)20(34)11-31-13-26-18-3-2-6-25-23(18)31)24-21(27-14-35-24)22-28-17-5-4-16(12-33)9-19(17)29-22/h2-6,9,13-15,33H,7-8,10-12H2,1H3,(H,28,29)/t15-/m1/s1
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| InChIKey |
OHNXVUFHHKQXKE-OAHLLOKOSA-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