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- 2 of 2 defined stereocentres
5-Chloro-N-(3-cyclopropyl-5-{[(3R,5S)-3,5-dimethyl-1-piperazinyl]methyl}phenyl)-4-(6-methyl-1H-indol-3-yl)-2-pyrimidinamine hydrate (1:1)
O.CC1C=CC2=C(C=1)NC=C2C1=NC(NC2=CC(CN3C[C@H](C)N[C@H](C)C3)=CC(=C2)C2CC2)=NC=C1Cl
InChI=1S/C29H33ClN6.H2O/c1-17-4-7-24-25(12-31-27(24)8-17)28-26(30)13-32-29(35-28)34-23-10-20(9-22(11-23)21-5-6-21)16-36-14-18(2)33-19(3)15-36;/h4,7-13,18-19,21,31,33H,5-6,14-16H2,1-3H3,(H,32,34,35);1H2/t18-,19+;
ZBXHRUUVJWPXCW-AQDIUKAZSA-N
CSID:81367590, http://www.chemspider.com/Chemical-Structure.81367590.html (accessed 12:19, May 21, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
No predicted properties have been calculated for this compound.
Click to predict properties on the Chemicalize site
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