General Information of the Compound
Compound ID |
CP0087167
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Compound Name |
(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-9-(1,3-thiazol-2-ylmethyl)-11-oxa-3-thia-8,12-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,7,12-pentaene
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Structure |
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Formula |
C22H18ClN3OS2
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Molecular Weight |
439.993
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Canonical SMILES |
Cc1noc2[C@H](Cc3nccs3)N=C(c3c(C)c(C)sc3-c12)c1ccc(Cl)cc1
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InChI |
InChI=1S/C22H18ClN3OS2/c1-11-13(3)29-22-18(11)20(14-4-6-15(23)7-5-14)25-16(10-17-24-8-9-28-17)21-19(22)12(2)26-27-21/h4-9,16H,10H2,1-3H3/t16-/m0/s1
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InChIKey |
PPRZAKUOTSYDCL-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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