General Information of the Compound
| Compound ID |
CP0121406
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| Compound Name |
(9S)-7-(4-chlorophenyl)-9-(1H-imidazol-2-ylmethyl)-4,5,13-trimethyl-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 |
C22H19ClN4OS
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| Molecular Weight |
422.941
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| Canonical SMILES |
Cc1noc2[C@H](Cc3ncc[nH]3)N=C(c3c(C)c(C)sc3-c12)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H19ClN4OS/c1-11-13(3)29-22-18(11)20(14-4-6-15(23)7-5-14)26-16(10-17-24-8-9-25-17)21-19(22)12(2)27-28-21/h4-9,16H,10H2,1-3H3,(H,24,25)/t16-/m0/s1
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| InChIKey |
GWXIOJYNQZHICH-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