General Information of the Compound
| Compound ID |
CP0886858
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| Compound Name |
US9216968, 168
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| Structure |
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| Formula |
C28H25ClF3N5O3
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| Molecular Weight |
571.987
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| Canonical SMILES |
Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(NC[C@@H]3CCCO3)nc12
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| InChI |
InChI=1S/C28H25ClF3N5O3/c1-15-21(29)9-4-10-22(15)35-26(39)19-12-16(34-25(38)18-7-2-3-8-20(18)28(30,31)32)13-23-24(19)37-27(36-23)33-14-17-6-5-11-40-17/h2-4,7-10,12-13,17H,5-6,11,14H2,1H3,(H,34,38)(H,35,39)(H2,33,36,37)/t17-/m0/s1
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| InChIKey |
YELWJYLILKCUSU-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