General Information of the Compound
| Compound ID |
CP0490945
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| Compound Name |
US9266876, 140
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| Structure |
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| Formula |
C23H21ClN8OS
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| Molecular Weight |
492.996
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1ccc2ncc(Cl)nc12)c1scnc1-c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C23H21ClN8OS/c1-14-11-31(23-20(26-13-34-23)21-27-15-4-2-3-5-16(15)28-21)8-9-32(14)19(33)12-30-7-6-17-22(30)29-18(24)10-25-17/h2-7,10,13-14H,8-9,11-12H2,1H3,(H,27,28)/t14-/m1/s1
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| InChIKey |
PSYUFRUXGJOTCT-CQSZACIVSA-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