General Information of the Compound
| Compound ID |
CP0391018
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| Compound Name |
11,13-dimethyl-6-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]-4-propyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
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| Structure |
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| Formula |
C30H34N6O
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| Molecular Weight |
494.643
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| Canonical SMILES |
CCCc1cc(N2CCN(CCOc3cccc4ccccc34)CC2)n2nc3nc(C)cc(C)c3c2n1
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| InChI |
InChI=1S/C30H34N6O/c1-4-8-24-20-27(36-30(32-24)28-21(2)19-22(3)31-29(28)33-36)35-15-13-34(14-16-35)17-18-37-26-12-7-10-23-9-5-6-11-25(23)26/h5-7,9-12,19-20H,4,8,13-18H2,1-3H3
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| InChIKey |
UQNSXMUYSZHSLG-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