General Information of the Compound
| Compound ID |
CP0413495
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| Compound Name |
US9216968, 152
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| Structure |
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| Formula |
C29H28ClF3N6O2
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| Molecular Weight |
585.03
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| Canonical SMILES |
Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(NCCN3CCCC3)nc12
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| InChI |
InChI=1S/C29H28ClF3N6O2/c1-17-22(30)9-6-10-23(17)36-27(41)20-15-18(35-26(40)19-7-2-3-8-21(19)29(31,32)33)16-24-25(20)38-28(37-24)34-11-14-39-12-4-5-13-39/h2-3,6-10,15-16H,4-5,11-14H2,1H3,(H,35,40)(H,36,41)(H2,34,37,38)
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| InChIKey |
CBHDWQDIFFXMIK-UHFFFAOYSA-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