General Information of the Compound
| Compound ID |
CP0477961
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| Compound Name |
US9266876, 49
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| Structure |
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| Formula |
C24H24N8OS
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| Molecular Weight |
472.578
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| Canonical SMILES |
CC[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1scnc1-c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C24H24N8OS/c1-2-16-12-30(24-21(27-15-34-24)22-28-17-6-3-4-7-18(17)29-22)10-11-32(16)20(33)13-31-14-26-19-8-5-9-25-23(19)31/h3-9,14-16H,2,10-13H2,1H3,(H,28,29)/t16-/m1/s1
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| InChIKey |
AXOCJQGAWLLMQP-MRXNPFEDSA-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: PT03433, C-X-C chemokine receptor type 3
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2