General Information of the Compound
| Compound ID |
CP0210887
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| Compound Name |
tert-butyl 2-[(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]acetate
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| Structure |
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| Formula |
C24H25ClN2O3S
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| Molecular Weight |
456.995
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| Canonical SMILES |
Cc1noc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-c12)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H25ClN2O3S/c1-12-14(3)31-23-19(12)21(15-7-9-16(25)10-8-15)26-17(11-18(28)29-24(4,5)6)22-20(23)13(2)27-30-22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
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| InChIKey |
CJTVZWXEXYPYBQ-KRWDZBQOSA-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