General Information of the Compound
| Compound ID |
CP0457943
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| Compound Name |
4-chloro-2-[[[(3S)-1-methylpiperidin-3-yl]-(2-methylpropyl)amino]methyl]benzonitrile
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| Structure |
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| Formula |
C18H26ClN3
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| Molecular Weight |
319.88
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| Canonical SMILES |
CC(C)CN(Cc1cc(Cl)ccc1C#N)[C@H]1CCCN(C)C1
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| InChI |
InChI=1S/C18H26ClN3/c1-14(2)11-22(18-5-4-8-21(3)13-18)12-16-9-17(19)7-6-15(16)10-20/h6-7,9,14,18H,4-5,8,11-13H2,1-3H3/t18-/m0/s1
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| InChIKey |
SLHBSTYTLCJYLO-SFHVURJKSA-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: PT01472, Nitric oxide synthase, inducible