General Information of the Compound
| Compound ID |
CP0248951
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| Compound Name |
N-[[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-11-oxa-3-thia-8,12-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,7,12-pentaen-9-yl]methyl]acetamide
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| Structure |
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| Formula |
C21H20ClN3O2S
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| Molecular Weight |
413.93
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| Canonical SMILES |
CC(=O)NC[C@@H]1N=C(c2c(C)c(C)sc2-c2c(C)noc12)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H20ClN3O2S/c1-10-12(3)28-21-17(10)19(14-5-7-15(22)8-6-14)24-16(9-23-13(4)26)20-18(21)11(2)25-27-20/h5-8,16H,9H2,1-4H3,(H,23,26)/t16-/m0/s1
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| InChIKey |
MLNSSQJJHZUHDD-INIZCTEOSA-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