General Information of the Compound
| Compound ID |
CP0671424
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| Compound Name |
Pipamazine
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| Structure |
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| Formula |
C21H24ClN3OS
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| Molecular Weight |
401.963
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| Canonical SMILES |
NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1
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| InChI |
InChI=1S/C21H24ClN3OS/c22-16-6-7-20-18(14-16)25(17-4-1-2-5-19(17)27-20)11-3-10-24-12-8-15(9-13-24)21(23)26/h1-2,4-7,14-15H,3,8-13H2,(H2,23,26)
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| InChIKey |
OSJJYEUEJRVVOD-UHFFFAOYSA-N
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| CAS |
84-04-8
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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