General Information of the Compound
| Compound ID |
CP0868829
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| Compound Name |
US9216968, 72
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| Structure |
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| Formula |
C28H25ClF3N5O2
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| Molecular Weight |
555.988
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| Canonical SMILES |
Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c([C@@H]3CCCN3C)nc12
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| InChI |
InChI=1S/C28H25ClF3N5O2/c1-15-20(29)9-5-10-21(15)35-27(39)18-13-16(33-26(38)17-7-3-4-8-19(17)28(30,31)32)14-22-24(18)36-25(34-22)23-11-6-12-37(23)2/h3-5,7-10,13-14,23H,6,11-12H2,1-2H3,(H,33,38)(H,34,36)(H,35,39)/t23-/m0/s1
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| InChIKey |
QXNVHMFQJKUPJS-QHCPKHFHSA-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