General Information of the Compound
| Compound ID |
CP0274496
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| Compound Name |
CHEMBL394135
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| Formula |
C26H27N5O2
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| Molecular Weight |
441.535
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| Canonical SMILES |
NC(=O)[C@H]1CC[C@@H](CC1)c1nc(-c2cccc(OCc3ccccc3)c2)c2c(N)nccn12
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| InChI |
InChI=1S/C26H27N5O2/c27-24-23-22(20-7-4-8-21(15-20)33-16-17-5-2-1-3-6-17)30-26(31(23)14-13-29-24)19-11-9-18(10-12-19)25(28)32/h1-8,13-15,18-19H,9-12,16H2,(H2,27,29)(H2,28,32)/t18-,19-
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| InChIKey |
UVIQXTHQSWQJHO-WGSAOQKQSA-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