General Information of the Compound
| Compound ID |
CP0935590
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| Compound Name |
(R)-6-(4-((4-cyclohexyl-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 |
C23H31N5O2
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| Molecular Weight |
409.534
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| Canonical SMILES |
C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)CNC(=O)O3)CCN1C1CCCCC1
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| InChI |
InChI=1S/C23H31N5O2/c1-16-14-27(9-10-28(16)20-5-3-2-4-6-20)15-19-13-25-26-22(19)17-7-8-21-18(11-17)12-24-23(29)30-21/h7-8,11,13,16,20H,2-6,9-10,12,14-15H2,1H3,(H,24,29)(H,25,26)/t16-/m1/s1
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| InChIKey |
PDCUQVZWLFORRN-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