General Information of the Compound
| Compound ID |
CP0561237
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| Compound Name |
US9427442, 2
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| Structure |
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| Formula |
C29H31F5N4O4
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| Molecular Weight |
594.581
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| Canonical SMILES |
COc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](C1CCC(F)(F)CC1)C(N)=O)N=C2c1ccccc1
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| InChI |
InChI=1S/C29H31F5N4O4/c1-42-20-9-5-8-19-22(17-6-3-2-4-7-17)36-25(27(41)37-23(19)20)38-26(40)18(12-15-29(32,33)34)21(24(35)39)16-10-13-28(30,31)14-11-16/h2-9,16,18,21,25H,10-15H2,1H3,(H2,35,39)(H,37,41)(H,38,40)/t18-,21+,25-/m1/s1
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| InChIKey |
GPSAOZZYKLGLJH-DHTSOJEISA-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
Protein ID: PT04100, Neurogenic locus notch homolog protein 1
Protein ID: PT06709, Recombining binding protein suppressor of hairless