General Information of the Compound
| Compound ID |
CP0550430
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| Compound Name |
N-[(1S,2S)-2,5-dihydroxycyclohexyl]-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
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| Structure |
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| Formula |
C24H25N5O3
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| Molecular Weight |
431.496
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| Canonical SMILES |
OC1CC[C@H](O)[C@H](C1)NC(=O)c1cn(Cc2ccc(cc2)-n2cccn2)c2cccnc12
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| InChI |
InChI=1S/C24H25N5O3/c30-18-8-9-22(31)20(13-18)27-24(32)19-15-28(21-3-1-10-25-23(19)21)14-16-4-6-17(7-5-16)29-12-2-11-26-29/h1-7,10-12,15,18,20,22,30-31H,8-9,13-14H2,(H,27,32)/t18?,20-,22-/m0/s1
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| InChIKey |
WEOLWRJLCJEKBL-KAOUJKNGSA-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