General Information of the Compound
| Compound ID |
CP0185297
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| Compound Name |
(1R,2R)-2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-indan-1-ol
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| Structure |
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| Formula |
C23H22N4O
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| Molecular Weight |
370.456
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| Canonical SMILES |
Cc1[nH]c2nc(nc(N[C@@H]3Cc4ccccc4[C@H]3O)c2c1C)-c1ccccc1
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| InChI |
InChI=1S/C23H22N4O/c1-13-14(2)24-22-19(13)23(27-21(26-22)15-8-4-3-5-9-15)25-18-12-16-10-6-7-11-17(16)20(18)28/h3-11,18,20,28H,12H2,1-2H3,(H2,24,25,26,27)/t18-,20-/m1/s1
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| InChIKey |
AQAMSAQCNMJLLH-UYAOXDASSA-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