General Information of the Compound
| Compound ID |
CP0921238
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| Compound Name |
(R)-6-(4-((4-(2-fluorobenzyl)-3-methylpiperazin-1-yl)methyl)-1H-pyrazol-3-yl)-3,4-dihydro-2H-benzo[e][1,3]oxazin-2-one
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| Structure |
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| Formula |
C24H26FN5O2
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| Molecular Weight |
435.503
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| Canonical SMILES |
C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)CNC(=O)O3)CCN1Cc1ccccc1F
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| InChI |
InChI=1S/C24H26FN5O2/c1-16-13-29(8-9-30(16)15-18-4-2-3-5-21(18)25)14-20-12-27-28-23(20)17-6-7-22-19(10-17)11-26-24(31)32-22/h2-7,10,12,16H,8-9,11,13-15H2,1H3,(H,26,31)(H,27,28)/t16-/m1/s1
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| InChIKey |
VNNBILOBQFFMNS-MRXNPFEDSA-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