General Information of the Compound
| Compound ID |
CP0517108
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| Compound Name |
US9346829, 15
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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(-c2cnn(C)c2)c2ccccc12
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| InChI |
InChI=1S/C21H25N5O2/c1-24-10-17(9-22-24)26-11-19(18-5-3-4-6-20(18)26)21(27)23-14-7-15-12-28-13-16(8-14)25(15)2/h3-6,9-11,14-16H,7-8,12-13H2,1-2H3,(H,23,27)/t14-,15-,16+
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| InChIKey |
SOGQGWLGPNGQGK-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