General Information of the Compound
| Compound ID |
CP0451345
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| Compound Name |
US9428460, 31
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| Formula |
C21H20N4O3
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| Molecular Weight |
376.416
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| Canonical SMILES |
O=C(NC[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N)c1ccon1
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| InChI |
InChI=1S/C21H20N4O3/c22-12-15-2-1-3-17-19(8-10-23-20(15)17)28-16-6-4-14(5-7-16)13-24-21(26)18-9-11-27-25-18/h1-3,8-11,14,16H,4-7,13H2,(H,24,26)/t14-,16-
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| InChIKey |
CZSVKYOFKOKXIO-KOMQPUFPSA-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