General Information of the Compound
| Compound ID |
CP0478178
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| Compound Name |
CHEMBL3426046
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| Formula |
C21H23N5OS
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| Molecular Weight |
393.516
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| Canonical SMILES |
O=C1CCCN1[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncs1
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| InChI |
InChI=1S/C21H23N5OS/c27-20-2-1-9-26(20)16-6-4-15(5-7-16)25-21-17-10-14(19-11-22-13-28-19)3-8-18(17)23-12-24-21/h3,8,10-13,15-16H,1-2,4-7,9H2,(H,23,24,25)/t15-,16-
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| InChIKey |
LPXYMTVRTJZZMF-WKILWMFISA-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