General Information of the Compound
| Compound ID |
CP0548219
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| Compound Name |
CHEMBL4863193
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| Formula |
C25H23N5O3
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| Molecular Weight |
441.491
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| Canonical SMILES |
NC(=O)c1c([nH]c2c3CN(CCCc3nn12)C(=O)C=C)-c1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C25H23N5O3/c1-2-21(31)29-14-6-9-20-19(15-29)25-27-22(23(24(26)32)30(25)28-20)16-10-12-18(13-11-16)33-17-7-4-3-5-8-17/h2-5,7-8,10-13,27H,1,6,9,14-15H2,(H2,26,32)
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| InChIKey |
MPVJOXFGFVAQDC-UHFFFAOYSA-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