General Information of the Compound
| Compound ID |
CP0505122
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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 quinolin-8-ylamide
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| Formula |
C26H27N3O3
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| Molecular Weight |
429.52
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| Canonical SMILES |
O=C(Nc1cccc2cccnc12)[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/C26H27N3O3/c30-24(28-20-5-1-3-16-4-2-12-27-23(16)20)17-8-6-15(7-9-17)14-29-25(31)21-18-10-11-19(13-18)22(21)26(29)32/h1-5,10-12,15,17-19,21-22H,6-9,13-14H2,(H,28,30)/t15-,17-,18-,19+,21-,22+
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| InChIKey |
UQOJIGPIMOLYHM-XDOCLBHYSA-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