General Information of the Compound
| Compound ID |
CP0398446
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| Compound Name |
2-(4-benzylpiperazine-1-carbonyl)-5-phenylmethoxychromen-4-one
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| Structure |
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| Formula |
C28H26N2O4
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| Molecular Weight |
454.526
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| Canonical SMILES |
O=C(N1CCN(Cc2ccccc2)CC1)c1cc(=O)c2c(OCc3ccccc3)cccc2o1
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| InChI |
InChI=1S/C28H26N2O4/c31-23-18-26(28(32)30-16-14-29(15-17-30)19-21-8-3-1-4-9-21)34-25-13-7-12-24(27(23)25)33-20-22-10-5-2-6-11-22/h1-13,18H,14-17,19-20H2
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| InChIKey |
RKFOXQNWRPAKDL-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
Protein ID: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2