General Information of the Compound
| Compound ID |
CP0482683
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| Compound Name |
CHEMBL2012603
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| Formula |
C27H33N3O3S
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| Molecular Weight |
479.646
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| Canonical SMILES |
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(s1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C27H33N3O3S/c31-23(32)12-16-1-3-20(4-2-16)21-5-7-22(8-6-21)24(33)28-26-30-29-25(34-26)27-13-17-9-18(14-27)11-19(10-17)15-27/h5-8,16-20H,1-4,9-15H2,(H,31,32)(H,28,30,33)/t16-,17?,18?,19?,20-,27?
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| InChIKey |
BRIFCJXLIPGMRE-REPSVIGRSA-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