General Information of the Compound
| Compound ID |
CP0176396
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| Compound Name |
N-cyclopropyl-4-[4-[(8-methoxy-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]-3-methylbenzamide
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| Structure |
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| Formula |
C26H32N4O4
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| Molecular Weight |
464.566
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| Canonical SMILES |
COc1cc(CN2CCN(CC2)c2ccc(cc2C)C(=O)NC2CC2)cc2NC(=O)C(C)Oc12
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| InChI |
InChI=1S/C26H32N4O4/c1-16-12-19(26(32)27-20-5-6-20)4-7-22(16)30-10-8-29(9-11-30)15-18-13-21-24(23(14-18)33-3)34-17(2)25(31)28-21/h4,7,12-14,17,20H,5-6,8-11,15H2,1-3H3,(H,27,32)(H,28,31)
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| InChIKey |
YNLLQEVBYODKND-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