General Information of the Compound
| Compound ID |
CP0010210
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| Compound Name |
US9745291, Compound 95
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| Structure |
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| Formula |
C25H31N5O3
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| Molecular Weight |
449.555
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| Canonical SMILES |
OC(CNC(=O)COc1ccc2n(ncc2c1)C1CCNC1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C25H31N5O3/c31-22(16-29-10-8-18-3-1-2-4-19(18)15-29)14-27-25(32)17-33-23-5-6-24-20(11-23)12-28-30(24)21-7-9-26-13-21/h1-6,11-12,21-22,26,31H,7-10,13-17H2,(H,27,32)
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| InChIKey |
TXYOLEJQJXMWPZ-UHFFFAOYSA-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