General Information of the Compound
| Compound ID |
CP0416805
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| Compound Name |
CHEMBL4470714
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| Formula |
C28H33N5
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| Molecular Weight |
439.607
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| Canonical SMILES |
C(N1CCN(CC1)[C@H]1CC[C@H](CC1)c1ccccc1)c1ccc(\N=N/c2ccccc2)nc1
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| InChI |
InChI=1S/C28H33N5/c1-3-7-24(8-4-1)25-12-14-27(15-13-25)33-19-17-32(18-20-33)22-23-11-16-28(29-21-23)31-30-26-9-5-2-6-10-26/h1-11,16,21,25,27H,12-15,17-20,22H2/b31-30-/t25-,27+
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| InChIKey |
YZSOQMZFWBOWEV-DYBVMYHOSA-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