General Information of the Compound
| Compound ID |
CP0387862
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| Compound Name |
CHEMBL1956107
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| Formula |
C20H26N4S
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| Molecular Weight |
354.523
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| Canonical SMILES |
CN[C@H]1CC[C@H](CC1)N1CCc2ccc(cc12)N=C(N)c1cccs1
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| InChI |
InChI=1S/C20H26N4S/c1-22-15-6-8-17(9-7-15)24-11-10-14-4-5-16(13-18(14)24)23-20(21)19-3-2-12-25-19/h2-5,12-13,15,17,22H,6-11H2,1H3,(H2,21,23)/t15-,17+
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| InChIKey |
HGVUTNMCDMGTOE-WOVMCDHWSA-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: PT01911, Nitric oxide synthase 1
Protein ID: PT04155, Nitric oxide synthase 3
Protein ID: PT01910, Nitric oxide synthase, inducible
Protein ID: PT01472, Nitric oxide synthase, inducible
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01026, Sodium-dependent noradrenaline transporter