General Information of the Compound
| Compound ID |
CP0393899
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| Compound Name |
3-(3-hydroxyphenyl)-4-methyl-2-[4-[(2S)-2-pyrrolidin-1-ylpropoxy]phenyl]-2H-chromen-6-ol
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| Structure |
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| Formula |
C29H31NO4
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| Molecular Weight |
457.57
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| Canonical SMILES |
C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CCCC1
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| InChI |
InChI=1S/C29H31NO4/c1-19(30-14-3-4-15-30)18-33-25-11-8-21(9-12-25)29-28(22-6-5-7-23(31)16-22)20(2)26-17-24(32)10-13-27(26)34-29/h5-13,16-17,19,29,31-32H,3-4,14-15,18H2,1-2H3/t19-,29?/m0/s1
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| InChIKey |
HVJJETNVFOJKGU-KCHZNAQISA-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