General Information of the Compound
Compound ID |
CP0487003
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Compound Name |
CHEMBL3401677
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Formula |
C28H33N5O2
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Molecular Weight |
471.605
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Canonical SMILES |
C[C@@H]1CN(CCN1c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)c1ccc(cc1)C#N
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InChI |
InChI=1S/C28H33N5O2/c1-18-17-32(23-7-5-19(16-29)6-8-23)9-10-33(18)25-4-2-3-24(30-25)27(34)31-26-21-11-20-12-22(26)15-28(35,13-20)14-21/h2-8,18,20-22,26,35H,9-15,17H2,1H3,(H,31,34)/t18-,20?,21?,22?,26-,28-/m1/s1
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InChIKey |
JSIQXWMFUIOAMA-CYUQAOESSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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