General Information of the Compound
| Compound ID |
CP0176174
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| Compound Name |
21-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,16,18,24-tetrazatricyclo[15.5.2.020,23]tetracosa-17,19,21,23-tetraen-7-ol
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| Structure |
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| Formula |
C32H48N6O
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| Molecular Weight |
532.777
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| Canonical SMILES |
CN1CCN(Cc2ccc(cc2)-c2cn3CCCCCC(O)CCCCCCCCNc4ncc2c3n4)CC1
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| InChI |
InChI=1S/C32H48N6O/c1-36-19-21-37(22-20-36)24-26-13-15-27(16-14-26)30-25-38-18-10-6-8-12-28(39)11-7-4-2-3-5-9-17-33-32-34-23-29(30)31(38)35-32/h13-16,23,25,28,39H,2-12,17-22,24H2,1H3,(H,33,34,35)
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| InChIKey |
SCPFYDCGZSWLOY-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