General Information of the Compound
| Compound ID |
CP0717532
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| Compound Name |
(3R)-3-[3-[[2-[(4-Aminocyclohexyl)methyl-methyl-amino]pyrimidin-4-yl]amino]-1H-pyrazol-5-yl]-1-methyl-pyrrolidin-2-one
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| Formula |
C20H30N8O
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| Molecular Weight |
398.515
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| Canonical SMILES |
CN1CC[C@H](c2cc(Nc3ccnc(N(C)C[C@H]4CC[C@H](N)CC4)n3)n[nH]2)C1=O
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| InChI |
InChI=1S/C20H30N8O/c1-27-10-8-15(19(27)29)16-11-18(26-25-16)23-17-7-9-22-20(24-17)28(2)12-13-3-5-14(21)6-4-13/h7,9,11,13-15H,3-6,8,10,12,21H2,1-2H3,(H2,22,23,24,25,26)/t13-,14-,15-/m1/s1
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| InChIKey |
ZDSMRCALKWRRFK-RBSFLKMASA-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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