General Information of the Compound
| Compound ID |
CP0962349
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| Compound Name |
US9216968, 198
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| Structure |
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| Formula |
C27H24Cl2FN5O3
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| Molecular Weight |
556.425
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| Canonical SMILES |
Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2c(F)cccc2Cl)cc2[nH]c(NC[C@@H]3CCCO3)nc12
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| InChI |
InChI=1S/C27H24Cl2FN5O3/c1-14-18(28)6-3-9-21(14)33-25(36)17-11-15(32-26(37)23-19(29)7-2-8-20(23)30)12-22-24(17)35-27(34-22)31-13-16-5-4-10-38-16/h2-3,6-9,11-12,16H,4-5,10,13H2,1H3,(H,32,37)(H,33,36)(H2,31,34,35)/t16-/m0/s1
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| InChIKey |
QWUGKKUWPOSPIP-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