General Information of the Compound
| Compound ID |
CP0404972
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| Compound Name |
4-chloro-2-[[methyl-[1-(3-methylbutyl)piperidin-4-yl]amino]methyl]benzonitrile
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| Structure |
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| Formula |
C19H28ClN3
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| Molecular Weight |
333.907
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| Canonical SMILES |
CC(C)CCN1CCC(CC1)N(C)Cc1cc(Cl)ccc1C#N
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| InChI |
InChI=1S/C19H28ClN3/c1-15(2)6-9-23-10-7-19(8-11-23)22(3)14-17-12-18(20)5-4-16(17)13-21/h4-5,12,15,19H,6-11,14H2,1-3H3
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| InChIKey |
OMQYIOYBFXVVIG-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
Protein ID: PT01406, Nitric oxide synthase 1
Protein ID: PT01856, Nitric oxide synthase 3
Protein ID: PT01472, Nitric oxide synthase, inducible