General Information of the Compound
| Compound ID |
CP0140241
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| Compound Name |
17-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,12,14,20-tetrazatricyclo[11.5.2.016,19]icosa-13,15,17,19-tetraen-5-ol
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| Structure |
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| Formula |
C28H40N6O
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| Molecular Weight |
476.669
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| Canonical SMILES |
CN1CCN(Cc2ccc(cc2)-c2cn3CCCC(O)CCCCCCNc4ncc2c3n4)CC1
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| InChI |
InChI=1S/C28H40N6O/c1-32-15-17-33(18-16-32)20-22-9-11-23(12-10-22)26-21-34-14-6-8-24(35)7-4-2-3-5-13-29-28-30-19-25(26)27(34)31-28/h9-12,19,21,24,35H,2-8,13-18,20H2,1H3,(H,29,30,31)
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| InChIKey |
ORJFNGOUYHBFPE-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