General Information of the Compound
| Compound ID |
CP0483048
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| Compound Name |
US10030025, Compound 30
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| Structure |
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| Formula |
C21H20N6O2S
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| Molecular Weight |
420.498
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| Canonical SMILES |
CCc1noc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(cc1)-c1cccs1
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| InChI |
InChI=1S/C21H20N6O2S/c1-3-17-22-20(29-25-17)19-24-23-18-13(2)26(10-11-27(18)19)21(28)15-8-6-14(7-9-15)16-5-4-12-30-16/h4-9,12-13H,3,10-11H2,1-2H3/t13-/m1/s1
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| InChIKey |
DOEVSBYTUDFXBA-CYBMUJFWSA-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01290, Substance-K receptor
Protein ID: PT01410, Substance-P receptor