General Information of the Compound
| Compound ID |
CP0428820
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| Compound Name |
US9273014, Comparative Compound 48
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| Structure |
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| Formula |
C29H36N4O3
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| Molecular Weight |
488.632
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| Canonical SMILES |
CCCN1c2ccccc2C(=N[C@H](NC(=O)[C@H](CC(C)C)[C@H](CC=C)C(N)=O)C1=O)c1ccccc1
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| InChI |
InChI=1S/C29H36N4O3/c1-5-12-21(26(30)34)23(18-19(3)4)28(35)32-27-29(36)33(17-6-2)24-16-11-10-15-22(24)25(31-27)20-13-8-7-9-14-20/h5,7-11,13-16,19,21,23,27H,1,6,12,17-18H2,2-4H3,(H2,30,34)(H,32,35)/t21-,23+,27+/m0/s1
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| InChIKey |
NBOUPMNHRXSDBV-VBANMALSSA-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