General Information of the Compound
| Compound ID |
CP0902269
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| Compound Name |
US8614213, 19.68
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| Formula |
C23H24ClF3N4O2
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| Molecular Weight |
480.918
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| Canonical SMILES |
COc1ccc2c(NC[C@H]3CC[C@H](NC(=O)c4cc(C(F)(F)F)ccc4Cl)CC3)n[nH]c2c1
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| InChI |
InChI=1S/C23H24ClF3N4O2/c1-33-16-7-8-17-20(11-16)30-31-21(17)28-12-13-2-5-15(6-3-13)29-22(32)18-10-14(23(25,26)27)4-9-19(18)24/h4,7-11,13,15H,2-3,5-6,12H2,1H3,(H,29,32)(H2,28,30,31)/t13-,15-
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| InChIKey |
YKVZGAKQFQPBQP-CTYIDZIISA-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