General Information of the Compound
| Compound ID |
CP0060304
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| Compound Name |
18-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,13,15,21-tetrazatricyclo[12.5.2.017,20]henicosa-14,16,18,20-tetraen-7-ol
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| Structure |
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| Formula |
C29H42N6O
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| Molecular Weight |
490.696
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| Canonical SMILES |
CN1CCN(Cc2ccc(cc2)-c2cn3CCCCCC(O)CCCCCNc4ncc2c3n4)CC1
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| InChI |
InChI=1S/C29H42N6O/c1-33-16-18-34(19-17-33)21-23-10-12-24(13-11-23)27-22-35-15-7-3-5-9-25(36)8-4-2-6-14-30-29-31-20-26(27)28(35)32-29/h10-13,20,22,25,36H,2-9,14-19,21H2,1H3,(H,30,31,32)
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| InChIKey |
JJXRAZVLEQHSOL-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