General Information of the Compound
| Compound ID |
CP0501284
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| Compound Name |
Allyl-carbamic acid 4-{[(2-methoxy-pyridine-3-carbonyl)-amino]-methyl}-4-phenyl-cyclohexyl ester
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| Formula |
C24H29N3O4
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| Molecular Weight |
423.513
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| Canonical SMILES |
COc1ncccc1C(=O)NC[C@]1(CC[C@@H](CC1)OC(=O)NCC=C)c1ccccc1
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| InChI |
InChI=1S/C24H29N3O4/c1-3-15-26-23(29)31-19-11-13-24(14-12-19,18-8-5-4-6-9-18)17-27-21(28)20-10-7-16-25-22(20)30-2/h3-10,16,19H,1,11-15,17H2,2H3,(H,26,29)(H,27,28)/t19-,24+
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| InChIKey |
DRSPPMKPAQAORZ-DQMBHMMVSA-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