General Information of the Compound
| Compound ID |
CP0289533
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| Compound Name |
(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-7-carbonitrile
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| Structure |
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| Formula |
C21H15N3O4
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| Molecular Weight |
373.368
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| Canonical SMILES |
CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(cc4cc3Cn1c2=O)C#N
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| InChI |
InChI=1S/C21H15N3O4/c1-2-21(27)15-7-17-18-13(6-12-5-11(8-22)3-4-16(12)23-18)9-24(17)19(25)14(15)10-28-20(21)26/h3-7,27H,2,9-10H2,1H3/t21-/m0/s1
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| InChIKey |
AVTDTIXTCDVJBC-NRFANRHFSA-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