General Information of the Compound
| Compound ID |
CP0512357
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| Compound Name |
US9346829, 23
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| Formula |
C21H25N5O2
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| Molecular Weight |
379.464
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| Canonical SMILES |
CN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1cn(-c2ccnn2C)c2ccccc12
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| InChI |
InChI=1S/C21H25N5O2/c1-24-15-9-14(10-16(24)13-28-12-15)23-21(27)18-11-26(20-7-8-22-25(20)2)19-6-4-3-5-17(18)19/h3-8,11,14-16H,9-10,12-13H2,1-2H3,(H,23,27)/t14-,15-,16+
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| InChIKey |
ZLKUZVJTUFBKKL-PHZGNYQRSA-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