General Information of the Compound
| Compound ID |
CP0568111
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| Compound Name |
CHEMBL5180628
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| Formula |
C26H38ClN5OS
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| Molecular Weight |
504.144
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| Canonical SMILES |
CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCCC1)c1ccsc1Cl
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| InChI |
InChI=1S/C26H38ClN5OS/c1-16(2)25-30-29-17(3)32(25)21-14-19-8-9-20(15-21)31(19)12-10-23(22-11-13-34-24(22)27)28-26(33)18-6-4-5-7-18/h11,13,16,18-21,23H,4-10,12,14-15H2,1-3H3,(H,28,33)/t19-,20+,21-,23-/m0/s1
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| InChIKey |
TVQBPRGWTISAPS-KGSLCBSSSA-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