General Information of the Compound
| Compound ID |
CP0450613
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| Compound Name |
N-[(1R,2R)-2-hydroxycyclopentyl]-1-methyl-4-[[6-(1-methylpyrazol-3-yl)pyridin-3-yl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
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| Structure |
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| Formula |
C24H26N6O2
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| Molecular Weight |
430.512
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| Canonical SMILES |
Cn1ccc(n1)-c1ccc(Cc2cc(nc3n(C)ccc23)C(=O)N[C@@H]2CCC[C@H]2O)cn1
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| InChI |
InChI=1S/C24H26N6O2/c1-29-10-8-17-16(12-15-6-7-18(25-14-15)19-9-11-30(2)28-19)13-21(26-23(17)29)24(32)27-20-4-3-5-22(20)31/h6-11,13-14,20,22,31H,3-5,12H2,1-2H3,(H,27,32)/t20-,22-/m1/s1
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| InChIKey |
HIHWXWHTEXXRNE-IFMALSPDSA-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