General Information of the Compound
| Compound ID |
CP0574614
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| Compound Name |
3-[(3R)-1-(cyanomethyl)piperidin-3-yl]-1-ethyl-1-[(1R)-1-[3-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)phenyl]ethyl]urea
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| Formula |
C25H31N7O2
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| Molecular Weight |
461.57
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| Canonical SMILES |
CCN([C@H](C)c1cccc(c1)-c1cn2ccnc2c(OC)n1)C(=O)N[C@@H]1CCCN(CC#N)C1
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| InChI |
InChI=1S/C25H31N7O2/c1-4-32(25(33)28-21-9-6-12-30(16-21)13-10-26)18(2)19-7-5-8-20(15-19)22-17-31-14-11-27-23(31)24(29-22)34-3/h5,7-8,11,14-15,17-18,21H,4,6,9,12-13,16H2,1-3H3,(H,28,33)/t18-,21-/m1/s1
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| InChIKey |
AHYWJQUWZIMPQR-WIYYLYMNSA-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