General Information of the Compound
| Compound ID |
CP0540040
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| Compound Name |
US9346829, 4
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| Formula |
C22H24N4O2
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| Molecular Weight |
376.46
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| Canonical SMILES |
CN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1cn(-c2ccncc2)c2ccccc12
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| InChI |
InChI=1S/C22H24N4O2/c1-25-17-10-15(11-18(25)14-28-13-17)24-22(27)20-12-26(16-6-8-23-9-7-16)21-5-3-2-4-19(20)21/h2-9,12,15,17-18H,10-11,13-14H2,1H3,(H,24,27)/t15-,17-,18+
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| InChIKey |
CZGIEPVVDFGOTO-XGWQRUHWSA-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