General Information of the Compound
| Compound ID |
CP0495012
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| Compound Name |
US9139585, 11
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| Structure |
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| Formula |
C21H22N4O3
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| Molecular Weight |
378.432
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(CC1)c1ccc(cn1)[N+]#[C-]
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| InChI |
InChI=1S/C21H22N4O3/c1-14-16(4-5-17-18(14)13-28-21(17)27)19(26)12-24-7-9-25(10-8-24)20-6-3-15(22-2)11-23-20/h3-6,11,19,26H,7-10,12-13H2,1H3/t19-/m0/s1
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| InChIKey |
WCVMQTOKBBOWOZ-IBGZPJMESA-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