General Information of the Compound
| Compound ID |
CP0035293
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| Compound Name |
CHEMBL240034
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| Formula |
C30H37N5O
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| Molecular Weight |
483.66
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| Canonical SMILES |
CCN(CC)C[C@H]1CC[C@@H](CC1)c1nc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccn12
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| InChI |
InChI=1S/C30H37N5O/c1-3-34(4-2)20-22-13-15-24(16-14-22)30-33-27(28-29(31)32-17-18-35(28)30)25-11-8-12-26(19-25)36-21-23-9-6-5-7-10-23/h5-12,17-19,22,24H,3-4,13-16,20-21H2,1-2H3,(H2,31,32)/t22-,24-
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| InChIKey |
VUQXILKHMSMTDX-HCGLCNNCSA-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