General Information of the Compound
| Compound ID |
CP0198240
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| Compound Name |
19-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,14,16,22-tetrazatricyclo[13.5.2.018,21]docosa-15,17,19,21-tetraen-7-ol
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| Structure |
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| Formula |
C30H44N6O
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| Molecular Weight |
504.723
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| Canonical SMILES |
CN1CCN(Cc2ccc(cc2)-c2cn3CCCCCC(O)CCCCCCNc4ncc2c3n4)CC1
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| InChI |
InChI=1S/C30H44N6O/c1-34-17-19-35(20-18-34)22-24-11-13-25(14-12-24)28-23-36-16-8-4-6-10-26(37)9-5-2-3-7-15-31-30-32-21-27(28)29(36)33-30/h11-14,21,23,26,37H,2-10,15-20,22H2,1H3,(H,31,32,33)
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| InChIKey |
GKTJDVXAUIHAML-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