General Information of the Compound
| Compound ID |
CP0556278
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| Compound Name |
US9475814, 27
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| Structure |
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| Formula |
C23H21N5O2
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| Molecular Weight |
399.454
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| Canonical SMILES |
C[C@H]1N(CCn2c1nnc2-c1nc(C)co1)C(=O)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C23H21N5O2/c1-15-14-30-22(24-15)21-26-25-20-16(2)27(12-13-28(20)21)23(29)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,14,16H,12-13H2,1-2H3/t16-/m1/s1
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| InChIKey |
KCZKUNSWQCVDIE-MRXNPFEDSA-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