General Information of the Compound
| Compound ID |
CP0450951
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| Compound Name |
(2S)-8-Methyl-2-{[(2R)-2-methyl-4-quinolin-2-ylpiperazin-1-yl]methyl}-2,3-dihydro[1,4]dioxino-[2,3-f]quinoline
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| Structure |
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| Formula |
C27H28N4O2
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| Molecular Weight |
440.547
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| Canonical SMILES |
C[C@@H]1CN(CCN1C[C@H]1COc2ccc3nc(C)ccc3c2O1)c1ccc2ccccc2n1
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| InChI |
InChI=1S/C27H28N4O2/c1-18-7-9-22-24(28-18)10-11-25-27(22)33-21(17-32-25)16-30-13-14-31(15-19(30)2)26-12-8-20-5-3-4-6-23(20)29-26/h3-12,19,21H,13-17H2,1-2H3/t19-,21+/m1/s1
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| InChIKey |
SZQOJBUUZPJIPU-CTNGQTDRSA-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