General Information of the Compound
| Compound ID |
CP0379593
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| Compound Name |
CHEMBL2403864
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| Formula |
C28H34N4O
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| Molecular Weight |
442.607
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| Canonical SMILES |
Cc1ccc2n([C@@H]3CC[C@@H](CC3)NC[C@H]3Cc4ccc(cc4C3)C#N)c(nc2c1)C(C)(C)O
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| InChI |
InChI=1S/C28H34N4O/c1-18-4-11-26-25(12-18)31-27(28(2,3)33)32(26)24-9-7-23(8-10-24)30-17-20-14-21-6-5-19(16-29)13-22(21)15-20/h4-6,11-13,20,23-24,30,33H,7-10,14-15,17H2,1-3H3/t20-,23-,24+/m0/s1
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| InChIKey |
NULASFHNVGCWGL-NKKJXINNSA-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