General Information of the Compound
| Compound ID |
CP0133876
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| Compound Name |
(4R,5S)-4-cyclopropyl-3,9-dioxo-7-oxa-2,10,18,20,24-pentazatetracyclo[17.3.1.12,5.113,17]pentacosa-1(23),13(24),14,16,19,21-hexaene-4-carbonitrile
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| Structure |
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| Formula |
C23H24N6O3
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| Molecular Weight |
432.484
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| Canonical SMILES |
O=C1N2C[C@@H](COCC(=O)NCCc3cccc(Nc4cc2ccn4)n3)[C@@]1(C#N)C1CC1
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| InChI |
InChI=1S/C23H24N6O3/c24-14-23(15-4-5-15)16-11-29(22(23)31)18-7-9-25-20(10-18)28-19-3-1-2-17(27-19)6-8-26-21(30)13-32-12-16/h1-3,7,9-10,15-16H,4-6,8,11-13H2,(H,26,30)(H,25,27,28)/t16-,23+/m0/s1
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| InChIKey |
VHPOHFDPEQHMMX-QMHKHESXSA-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