General Information of the Compound
| Compound ID |
CP0466428
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| Compound Name |
2-[4-[(2S)-2-(azepan-1-yl)propoxy]phenyl]-3-(3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol
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| Structure |
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| Formula |
C31H35NO4
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| Molecular Weight |
485.624
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| Canonical SMILES |
C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CCCCCC1
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| InChI |
InChI=1S/C31H35NO4/c1-21(32-16-5-3-4-6-17-32)20-35-27-13-10-23(11-14-27)31-30(24-8-7-9-25(33)18-24)22(2)28-19-26(34)12-15-29(28)36-31/h7-15,18-19,21,31,33-34H,3-6,16-17,20H2,1-2H3/t21-,31?/m0/s1
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| InChIKey |
CLJDQFPCUIUXOB-FEAGIOCNSA-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