General Information of the Compound
| Compound ID |
CP0195241
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| Compound Name |
CHEMBL413828
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| Formula |
C28H28N6
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| Molecular Weight |
448.574
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| Canonical SMILES |
CN(C)C[C@H]1C[C@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12
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| InChI |
InChI=1S/C28H28N6/c1-33(2)17-18-14-22(15-18)28-32-25(26-27(29)30-12-13-34(26)28)21-9-8-20-10-11-23(31-24(20)16-21)19-6-4-3-5-7-19/h3-13,16,18,22H,14-15,17H2,1-2H3,(H2,29,30)/t18-,22+
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| InChIKey |
FSYHSNLAYZLREB-CXGRPWHSSA-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