General Information of the Compound
| Compound ID |
CP0456110
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| Compound Name |
CHEMBL2403865
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| Formula |
C25H27ClN4
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| Molecular Weight |
418.972
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| Canonical SMILES |
Cc1nc2cc(ccc2n1[C@@H]1CC[C@@H](CC1)NCC1Cc2ccc(Cl)cc2C1)C#N
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| InChI |
InChI=1S/C25H27ClN4/c1-16-29-24-12-17(14-27)2-9-25(24)30(16)23-7-5-22(6-8-23)28-15-18-10-19-3-4-21(26)13-20(19)11-18/h2-4,9,12-13,18,22-23,28H,5-8,10-11,15H2,1H3/t18?,22-,23+
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| InChIKey |
DNJAYBXQKCGTRY-KWZJIHQYSA-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