General Information of the Compound
| Compound ID |
CP0011529
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| Compound Name |
(1S,3R)-3-acetamido-N-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyridin-2-yl]cyclohexane-1-carboxamide
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| Formula |
C21H29N5O2
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| Molecular Weight |
383.496
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| Canonical SMILES |
CC(C)n1c(C)ncc1-c1ccnc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)c1
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| InChI |
InChI=1S/C21H29N5O2/c1-13(2)26-14(3)23-12-19(26)16-8-9-22-20(11-16)25-21(28)17-6-5-7-18(10-17)24-15(4)27/h8-9,11-13,17-18H,5-7,10H2,1-4H3,(H,24,27)(H,22,25,28)/t17-,18+/m0/s1
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| InChIKey |
HDSTXIMWVAEDEM-ZWKOTPCHSA-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