General Information of the Compound
| Compound ID |
CP0414619
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| Compound Name |
CHEMBL3426027
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| Formula |
C22H26N4O2S
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| Molecular Weight |
410.543
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| Canonical SMILES |
CCn1c2ccc(cc2c(N[C@H]2CC[C@@H](CC2)C(=O)NC)cc1=O)-c1cncs1
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| InChI |
InChI=1S/C22H26N4O2S/c1-3-26-19-9-6-15(20-12-24-13-29-20)10-17(19)18(11-21(26)27)25-16-7-4-14(5-8-16)22(28)23-2/h6,9-14,16,25H,3-5,7-8H2,1-2H3,(H,23,28)/t14-,16-
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| InChIKey |
HRPDLIRHUMUQDQ-KOMQPUFPSA-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