General Information of the Compound
| Compound ID |
CP0865647
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| Compound Name |
US9216968, 130
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| Structure |
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| Formula |
C27H21ClF3N5O3
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| Molecular Weight |
555.944
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| Canonical SMILES |
Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c([C@@H]3CCC(=O)N3)nc12
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| InChI |
InChI=1S/C27H21ClF3N5O3/c1-13-18(28)7-4-8-19(13)35-26(39)16-11-14(32-25(38)15-5-2-3-6-17(15)27(29,30)31)12-21-23(16)36-24(34-21)20-9-10-22(37)33-20/h2-8,11-12,20H,9-10H2,1H3,(H,32,38)(H,33,37)(H,34,36)(H,35,39)/t20-/m0/s1
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| InChIKey |
QQHLWNSDKLZZSU-FQEVSTJZSA-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