General Information of the Compound
| Compound ID |
CP0398975
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| Compound Name |
4-chloro-2-[[2-methylpropyl-[(3R)-piperidin-3-yl]amino]methyl]benzonitrile
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| Structure |
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| Formula |
C17H24ClN3
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| Molecular Weight |
305.853
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| Canonical SMILES |
CC(C)CN(Cc1cc(Cl)ccc1C#N)[C@@H]1CCCNC1
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| InChI |
InChI=1S/C17H24ClN3/c1-13(2)11-21(17-4-3-7-20-10-17)12-15-8-16(18)6-5-14(15)9-19/h5-6,8,13,17,20H,3-4,7,10-12H2,1-2H3/t17-/m1/s1
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| InChIKey |
VPPVMKGWSISMAW-QGZVFWFLSA-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