General Information of the Compound
| Compound ID |
CP0411296
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| Compound Name |
3-amino-1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]propan-1-one
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| Structure |
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| Formula |
C22H24ClN3O
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| Molecular Weight |
381.907
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| Canonical SMILES |
NCCC(=O)N1CCC(CC1)=C1c2ccc(Cl)cc2CCc2cccnc12
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| InChI |
InChI=1S/C22H24ClN3O/c23-18-5-6-19-17(14-18)4-3-16-2-1-11-25-22(16)21(19)15-8-12-26(13-9-15)20(27)7-10-24/h1-2,5-6,11,14H,3-4,7-10,12-13,24H2
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| InChIKey |
BYUVSFAVDKGWKJ-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