General Information of the Compound
| Compound ID |
CP0552840
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| Compound Name |
(4R,5S)-4-cyclopropyl-3,9-dioxo-7-oxa-2,10,17,19,23-pentazatetracyclo[16.3.1.12,5.112,16]tetracosa-1(22),12(23),13,15,18,20-hexaene-4-carbonitrile
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| Structure |
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| Formula |
C22H22N6O3
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| Molecular Weight |
418.457
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| Canonical SMILES |
O=C1N2C[C@@H](COCC(=O)NCc3cccc(Nc4cc2ccn4)n3)[C@@]1(C#N)C1CC1
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| InChI |
InChI=1S/C22H22N6O3/c23-13-22(14-4-5-14)15-10-28(21(22)30)17-6-7-24-19(8-17)27-18-3-1-2-16(26-18)9-25-20(29)12-31-11-15/h1-3,6-8,14-15H,4-5,9-12H2,(H,25,29)(H,24,26,27)/t15-,22+/m0/s1
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| InChIKey |
ZOBZVCDRKRZKKJ-OYHNWAKOSA-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