General Information of the Compound
| Compound ID |
CP0149364
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| Compound Name |
N-cyclopropyl-4-[4-[(2,8-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]benzamide
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| Structure |
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| Formula |
C25H30N4O3
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| Molecular Weight |
434.54
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| Canonical SMILES |
CC1Oc2c(C)cc(CN3CCN(CC3)c3ccc(cc3)C(=O)NC3CC3)cc2NC1=O
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| InChI |
InChI=1S/C25H30N4O3/c1-16-13-18(14-22-23(16)32-17(2)24(30)27-22)15-28-9-11-29(12-10-28)21-7-3-19(4-8-21)25(31)26-20-5-6-20/h3-4,7-8,13-14,17,20H,5-6,9-12,15H2,1-2H3,(H,26,31)(H,27,30)
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| InChIKey |
ODABPGDGTYGIAU-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