General Information of the Compound
| Compound ID |
CP0561153
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| Compound Name |
US9427442, 16
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| Structure |
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| Formula |
C25H27F4N5O4
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| Molecular Weight |
537.514
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| Canonical SMILES |
NOc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCCF)C(N)=O)N=C2c1ccccc1
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| InChI |
InChI=1S/C25H27F4N5O4/c26-13-5-9-15(21(30)35)16(11-12-25(27,28)29)23(36)34-22-24(37)33-20-17(8-4-10-18(20)38-31)19(32-22)14-6-2-1-3-7-14/h1-4,6-8,10,15-16,22H,5,9,11-13,31H2,(H2,30,35)(H,33,37)(H,34,36)/t15-,16+,22+/m0/s1
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| InChIKey |
GQQOKRQIUXMKQD-WJONJSRFSA-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