General Information of the Compound
| Compound ID |
CP0572799
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| Compound Name |
(NE)-N-[2-isoquinolin-3-yl-6-[3-(4-methylpiperazin-1-yl)propylamino]chromen-4-ylidene]hydroxylamine
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| Structure |
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| Formula |
C26H29N5O2
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| Molecular Weight |
443.551
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| Canonical SMILES |
CN1CCN(CCCNc2ccc3oc(c\c(=N/O)c3c2)-c2cc3ccccc3cn2)CC1
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| InChI |
InChI=1S/C26H29N5O2/c1-30-11-13-31(14-12-30)10-4-9-27-21-7-8-25-22(16-21)23(29-32)17-26(33-25)24-15-19-5-2-3-6-20(19)18-28-24/h2-3,5-8,15-18,27,32H,4,9-14H2,1H3/b29-23+
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| InChIKey |
KPKREMSWWAZPLF-BYNJWEBRSA-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