General Information of the Compound
| Compound ID |
CP0930028
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| Compound Name |
US9216968, 172
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| Structure |
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| Formula |
C29H29ClF3N5O3
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| Molecular Weight |
588.03
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| Canonical SMILES |
Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(N[C@H](CO)C(C)(C)C)nc12
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| InChI |
InChI=1S/C29H29ClF3N5O3/c1-15-20(30)10-7-11-21(15)35-26(41)18-12-16(34-25(40)17-8-5-6-9-19(17)29(31,32)33)13-22-24(18)38-27(36-22)37-23(14-39)28(2,3)4/h5-13,23,39H,14H2,1-4H3,(H,34,40)(H,35,41)(H2,36,37,38)/t23-/m1/s1
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| InChIKey |
OKFGQBRXAIJUOP-HSZRJFAPSA-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