General Information of the Compound
| Compound ID |
CP0573823
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| Compound Name |
(NE)-N-[6-[2-(4,4-difluoropiperidin-1-yl)ethoxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine
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| Structure |
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| Formula |
C23H22F2N4O3
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| Molecular Weight |
440.45
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| Canonical SMILES |
O\N=c1/cc(oc2ccc(OCCN3CCC(F)(F)CC3)cc12)-c1cc2cccn2cn1
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| InChI |
InChI=1S/C23H22F2N4O3/c24-23(25)5-8-28(9-6-23)10-11-31-17-3-4-21-18(13-17)19(27-30)14-22(32-21)20-12-16-2-1-7-29(16)15-26-20/h1-4,7,12-15,30H,5-6,8-11H2/b27-19+
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| InChIKey |
MYPZWCPHVXNILC-ZXVVBBHZSA-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