| PDB CCD ID: | X1W |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C27 H32 N6 O |
| InChI: | InChI=1S/C27H32N6O/c1-19(2)22-15-30-33-26(29-14-20-9-5-3-6-10-20)13-25(32-27(22)33)31-23-16-28-17-24(23)34-18-21-11-7-4-8-12-21/h3-13,15,19,23-24,28-29H,14,16-18H2,1-2H3,(H,31,32)/t23-,24+/m0/s1 |
| InChIKey: | OILLVYGGTARBHU-BJKOFHAPSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CC(C)c1cnn2c(NCc3ccccc3)cc(N[CH]4CNC[CH]4OCc5ccccc5)nc12 | | OpenEye OEToolkits 2.0.7 | CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NC4CNCC4OCc5ccccc5 | | OpenEye OEToolkits 2.0.7 | CC(C)c1cnn2c1nc(cc2NCc3ccccc3)N[C@H]4CNC[C@H]4OCc5ccccc5 | | CACTVS 3.385 | CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@H]4CNC[C@H]4OCc5ccccc5)nc12 |
|
| Name: | N5-[(3S,4R)-4-phenylmethoxypyrrolidin-3-yl]-N7-(phenylmethyl)-3-propan-2-yl-pyrazolo[1,5-a]pyrimidine-5,7-diamine |
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