General Information of the Compound
| Compound ID |
CP0096528
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| Compound Name |
(4R,5S,9E)-4-cyclopropyl-3-oxo-7,12-dioxa-2,19,21,25-tetrazatetracyclo[18.3.1.12,5.114,18]hexacosa-1(24),9,14(25),15,17,20,22-heptaene-4-carbonitrile
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| Structure |
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| Formula |
C24H25N5O3
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| Molecular Weight |
431.496
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| Canonical SMILES |
O=C1N2C[C@@H](COC\C=C\COCc3cccc(Nc4cc2ccn4)n3)[C@@]1(C#N)C1CC1
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| InChI |
InChI=1S/C24H25N5O3/c25-16-24(17-6-7-17)18-13-29(23(24)30)20-8-9-26-22(12-20)28-21-5-3-4-19(27-21)15-32-11-2-1-10-31-14-18/h1-5,8-9,12,17-18H,6-7,10-11,13-15H2,(H,26,27,28)/b2-1+/t18-,24+/m0/s1
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| InChIKey |
HTEKLZHVQBWTOT-RYYGKROTSA-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