General Information of the Compound
| Compound ID |
CP0408591
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| Compound Name |
(4aR,8aR)-4-Methyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-(2E)-ylideneamine
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| Structure |
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| Formula |
C10H16N2
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| Molecular Weight |
164.252
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| Canonical SMILES |
CC1=CC(N)=N[C@@H]2CCCC[C@H]12
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| InChI |
InChI=1S/C10H16N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h6,8-9H,2-5H2,1H3,(H2,11,12)/t8-,9-/m1/s1
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| InChIKey |
VPZRXMOMNFFKQE-RKDXNWHRSA-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: PT01856, Nitric oxide synthase 3
Protein ID: PT01472, Nitric oxide synthase, inducible