General Information of the Compound
| Compound ID |
CP0484148
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| Compound Name |
US9200001, 96
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| Structure |
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| Formula |
C25H30N8
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| Molecular Weight |
442.571
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| Canonical SMILES |
CN1CCC(CC1)c1nc(C)nn1-c1cc(nc(C)n1)[C@@H]1C[C@H]1c1nc2ccccc2n1C
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| InChI |
InChI=1S/C25H30N8/c1-15-26-21(18-13-19(18)25-29-20-7-5-6-8-22(20)32(25)4)14-23(27-15)33-24(28-16(2)30-33)17-9-11-31(3)12-10-17/h5-8,14,17-19H,9-13H2,1-4H3/t18-,19-/m1/s1
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| InChIKey |
OHMXRYIRQKDYRN-RTBURBONSA-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