General Information of the Compound
| Compound ID |
CP0339308
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| Compound Name |
(4R,5S)-4-cyclopropyl-3,9-dioxo-7-oxa-2,10,19,21,25-pentazatetracyclo[18.3.1.12,5.114,18]hexacosa-1(24),14(25),15,17,20,22-hexaene-4-carbonitrile
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| Structure |
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| Formula |
C24H26N6O3
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| Molecular Weight |
446.511
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| Canonical SMILES |
O=C1N2C[C@@H](COCC(=O)NCCCc3cccc(Nc4cc2ccn4)n3)[C@@]1(C#N)C1CC1
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| InChI |
InChI=1S/C24H26N6O3/c25-15-24(16-6-7-16)17-12-30(23(24)32)19-8-10-26-21(11-19)29-20-5-1-3-18(28-20)4-2-9-27-22(31)14-33-13-17/h1,3,5,8,10-11,16-17H,2,4,6-7,9,12-14H2,(H,27,31)(H,26,28,29)/t17-,24+/m0/s1
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| InChIKey |
BUEIIDNJPLCPBE-BXKMTCNYSA-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