General Information of the Compound
| Compound ID |
CP0555254
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| Compound Name |
US9200001, 137
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| Structure |
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| Formula |
C24H27N7O
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| Molecular Weight |
429.528
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| Canonical SMILES |
Cc1nc(C)n(n1)-c1cc(nc(OCC2(C)CC2)n1)[C@@H]1C[C@H]1c1nc2ccccc2n1C
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| InChI |
InChI=1S/C24H27N7O/c1-14-25-15(2)31(29-14)21-12-19(27-23(28-21)32-13-24(3)9-10-24)16-11-17(16)22-26-18-7-5-6-8-20(18)30(22)4/h5-8,12,16-17H,9-11,13H2,1-4H3/t16-,17-/m1/s1
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| InChIKey |
HOLSBQIXIHIHJA-IAGOWNOFSA-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