General Information of the Compound
| Compound ID |
CP0547846
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| Compound Name |
(NE)-N-[6-[2-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethoxy]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine
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| Structure |
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| Formula |
C27H30N4O3S
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| Molecular Weight |
490.629
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| Canonical SMILES |
CN1CCCC11CCN(CCOc2ccc3oc(c\c(=N/O)c3c2)-c2cc3sccc3cn2)CC1
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| InChI |
InChI=1S/C27H30N4O3S/c1-30-9-2-6-27(30)7-10-31(11-8-27)12-13-33-20-3-4-24-21(15-20)22(29-32)16-25(34-24)23-17-26-19(18-28-23)5-14-35-26/h3-5,14-18,32H,2,6-13H2,1H3/b29-22+
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| InChIKey |
HLZMUESXDYVLTB-QUPMIFSKSA-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