General Information of the Compound
| Compound ID |
CP0451634
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| Compound Name |
(2Z)-6-hydroxy-7-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1-benzofuran-3-one
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| Structure |
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| Formula |
C21H20N4O3
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| Molecular Weight |
376.416
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| Canonical SMILES |
Oc1ccc2C(=O)\C(Oc2c1CN1CCNCC1)=C\c1c[nH]c2ncccc12
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| InChI |
InChI=1S/C21H20N4O3/c26-17-4-3-15-19(27)18(10-13-11-24-21-14(13)2-1-5-23-21)28-20(15)16(17)12-25-8-6-22-7-9-25/h1-5,10-11,22,26H,6-9,12H2,(H,23,24)/b18-10-
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| InChIKey |
JKEWQEZHKJUJJG-ZDLGFXPLSA-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