General Information of the Compound
| Compound ID |
CP0529363
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| Compound Name |
US9427442, 10
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| Structure |
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| Formula |
C28H28ClF5N4O3
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| Molecular Weight |
599
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| Canonical SMILES |
Cc1cccc(c1)C1=N[C@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CC2CC(F)(F)C2)C(N)=O)C(=O)Nc2c(Cl)cccc12
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| InChI |
InChI=1S/C28H28ClF5N4O3/c1-14-4-2-5-16(10-14)21-18-6-3-7-20(29)22(18)37-26(41)24(36-21)38-25(40)17(8-9-28(32,33)34)19(23(35)39)11-15-12-27(30,31)13-15/h2-7,10,15,17,19,24H,8-9,11-13H2,1H3,(H2,35,39)(H,37,41)(H,38,40)/t17-,19+,24-/m1/s1
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| InChIKey |
VVCCUNLSKGRBBX-YIGJPRQDSA-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