General Information of the Compound
| Compound ID |
CP0501391
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| Compound Name |
4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-en-4-ylmethyl)-cyclohexanecarboxylic acid(7-methyl-quinolin-8-yl)-amide
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| Formula |
C27H29N3O3
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| Molecular Weight |
443.547
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| Canonical SMILES |
Cc1ccc2cccnc2c1NC(=O)[C@H]1CC[C@H](CN2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)CC1
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| InChI |
InChI=1S/C27H29N3O3/c1-15-4-7-17-3-2-12-28-24(17)23(15)29-25(31)18-8-5-16(6-9-18)14-30-26(32)21-19-10-11-20(13-19)22(21)27(30)33/h2-4,7,10-12,16,18-22H,5-6,8-9,13-14H2,1H3,(H,29,31)/t16-,18-,19-,20+,21-,22+
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| InChIKey |
LYRJDPVEZODWRJ-CIKGUOONSA-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