General Information of the Compound
| Compound ID |
CP0091954
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| Compound Name |
CHEMBL429097
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| Formula |
C27H29N5O2
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| Molecular Weight |
455.562
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| Canonical SMILES |
CNC(=O)[C@H]1CC[C@@H](CC1)c1nc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccn12
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| InChI |
InChI=1S/C27H29N5O2/c1-29-27(33)20-12-10-19(11-13-20)26-31-23(24-25(28)30-14-15-32(24)26)21-8-5-9-22(16-21)34-17-18-6-3-2-4-7-18/h2-9,14-16,19-20H,10-13,17H2,1H3,(H2,28,30)(H,29,33)/t19-,20-
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| InChIKey |
RZDLGDRVOVNNQW-MXVIHJGJSA-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