General Information of the Compound
| Compound ID |
CP0547845
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| Compound Name |
(NE)-N-[2-isoquinolin-3-yl-6-[2-(4-methylpiperazin-1-yl)ethoxy]chromen-4-ylidene]hydroxylamine
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| Structure |
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| Formula |
C25H26N4O3
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| Molecular Weight |
430.508
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| Canonical SMILES |
CN1CCN(CCOc2ccc3oc(c\c(=N/O)c3c2)-c2cc3ccccc3cn2)CC1
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| InChI |
InChI=1S/C25H26N4O3/c1-28-8-10-29(11-9-28)12-13-31-20-6-7-24-21(15-20)22(27-30)16-25(32-24)23-14-18-4-2-3-5-19(18)17-26-23/h2-7,14-17,30H,8-13H2,1H3/b27-22+
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| InChIKey |
VTZVTNGEOSWIEY-HPNDGRJYSA-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