General Information of the Compound
| Compound ID |
CP0963537
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| Compound Name |
US9029381, 20
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| Structure |
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| Formula |
C21H26N4O
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| Molecular Weight |
350.466
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| Canonical SMILES |
O=C([C@H]1CC1c1ccc(-c2cn[nH]c2)cc1)N1CCN(C2CCC2)CC1
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| InChI |
InChI=1S/C21H26N4O/c26-21(25-10-8-24(9-11-25)18-2-1-3-18)20-12-19(20)16-6-4-15(5-7-16)17-13-22-23-14-17/h4-7,13-14,18-20H,1-3,8-12H2,(H,22,23)/t19?,20-/m0/s1
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| InChIKey |
GCWXDIAMYKKYOJ-ANYOKISRSA-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