General Information of the Compound
| Compound ID |
CP0578723
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| Compound Name |
CHEMBL5085869
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| Formula |
C23H26N4O2
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| Molecular Weight |
390.487
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| Canonical SMILES |
Cc1ccc2CC(O)Cc3nnc([C@H]4CC[C@@H](CC4)Oc4ccccn4)n3-c2c1
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| InChI |
InChI=1S/C23H26N4O2/c1-15-5-6-17-13-18(28)14-21-25-26-23(27(21)20(17)12-15)16-7-9-19(10-8-16)29-22-4-2-3-11-24-22/h2-6,11-12,16,18-19,28H,7-10,13-14H2,1H3/t16-,18?,19-
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| InChIKey |
DDCXBLIOHUHHNV-KKLGJNPISA-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