General Information of the Compound
| Compound ID |
CP0512358
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| Compound Name |
US9346829, 27
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| Formula |
C21H22N4O2
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| Molecular Weight |
362.433
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| Canonical SMILES |
O=C(N[C@@H]1C[C@@H]2COC[C@H](C1)N2)c1cn(-c2cccnc2)c2ccccc12
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| InChI |
InChI=1S/C21H22N4O2/c26-21(24-14-8-15-12-27-13-16(9-14)23-15)19-11-25(17-4-3-7-22-10-17)20-6-2-1-5-18(19)20/h1-7,10-11,14-16,23H,8-9,12-13H2,(H,24,26)/t14-,15-,16+
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| InChIKey |
ADXUGXVNBMHLJQ-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