General Information of the Compound
| Compound ID |
CP0013940
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| Compound Name |
US10307413, Compound 18
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| Structure |
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| Formula |
C18H21N3O2
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| Molecular Weight |
311.385
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| Canonical SMILES |
OC(CNC(=O)c1cccnc1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C18H21N3O2/c22-17(11-20-18(23)15-6-3-8-19-10-15)13-21-9-7-14-4-1-2-5-16(14)12-21/h1-6,8,10,17,22H,7,9,11-13H2,(H,20,23)
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| InChIKey |
SRYPHXUPUJSJFV-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