General Information of the Compound
| Compound ID |
CP0564177
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| Compound Name |
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl-methylamino]-3-(9H-carbazol-4-yloxy)propan-2-ol
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| Structure |
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| Formula |
C29H32N4O2
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| Molecular Weight |
468.601
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| Canonical SMILES |
CN(CC(O)COc1cccc2[nH]c3ccccc3c12)Cc1c(C)nn(Cc2ccccc2)c1C
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| InChI |
InChI=1S/C29H32N4O2/c1-20-25(21(2)33(31-20)16-22-10-5-4-6-11-22)18-32(3)17-23(34)19-35-28-15-9-14-27-29(28)24-12-7-8-13-26(24)30-27/h4-15,23,30,34H,16-19H2,1-3H3
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| InChIKey |
KGSSQOGOHYSHQF-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