General Information of the Compound
| Compound ID |
CP0118245
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| Compound Name |
CHEMBL392788
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| Formula |
C24H25N5O
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| Molecular Weight |
399.498
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| Canonical SMILES |
NC[C@H]1C[C@H](C1)c1nc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccn12
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| InChI |
InChI=1S/C24H25N5O/c25-14-17-11-19(12-17)24-28-21(22-23(26)27-9-10-29(22)24)18-7-4-8-20(13-18)30-15-16-5-2-1-3-6-16/h1-10,13,17,19H,11-12,14-15,25H2,(H2,26,27)/t17-,19+
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| InChIKey |
ZKDZHSAMEVMGFN-IZAXUBKRSA-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