General Information of the Compound
| Compound ID |
CP0046964
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| Compound Name |
16-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,11,13,19-tetrazatricyclo[10.5.2.015,18]nonadeca-12,14,16,18-tetraen-5-ol
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| Structure |
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| Formula |
C27H38N6O
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| Molecular Weight |
462.642
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| Canonical SMILES |
CN1CCN(Cc2ccc(cc2)-c2cn3CCCC(O)CCCCCNc4ncc2c3n4)CC1
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| InChI |
InChI=1S/C27H38N6O/c1-31-14-16-32(17-15-31)19-21-8-10-22(11-9-21)25-20-33-13-5-7-23(34)6-3-2-4-12-28-27-29-18-24(25)26(33)30-27/h8-11,18,20,23,34H,2-7,12-17,19H2,1H3,(H,28,29,30)
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| InChIKey |
SMIXLVLRWCBPBA-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