General Information of the Compound
| Compound ID |
CP0518826
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| Compound Name |
US9216968, 173
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| Structure |
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| Formula |
C30H31ClF3N5O3
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| Molecular Weight |
602.057
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| Canonical SMILES |
COCC(C)(C)CN(C)c1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
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| InChI |
InChI=1S/C30H31ClF3N5O3/c1-17-22(31)11-8-12-23(17)36-27(41)20-13-18(35-26(40)19-9-6-7-10-21(19)30(32,33)34)14-24-25(20)38-28(37-24)39(4)15-29(2,3)16-42-5/h6-14H,15-16H2,1-5H3,(H,35,40)(H,36,41)(H,37,38)
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| InChIKey |
AZMSBHSQKRZEPB-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