General Information of the Compound
| Compound ID |
CP0642833
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| Compound Name |
(3R)-3-[3-[[2-[(4-Aminocyclohexyl)methyl-ethyl-amino]pyrimidin-4-yl]amino]-1H-pyrazol-5-yl]-1-methyl-pyrrolidin-2-one
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| Formula |
C21H32N8O
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| Molecular Weight |
412.542
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| Canonical SMILES |
CCN(C[C@H]1CC[C@H](N)CC1)c1nccc(Nc2cc([C@H]3CCN(C)C3=O)[nH]n2)n1
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| InChI |
InChI=1S/C21H32N8O/c1-3-29(13-14-4-6-15(22)7-5-14)21-23-10-8-18(25-21)24-19-12-17(26-27-19)16-9-11-28(2)20(16)30/h8,10,12,14-16H,3-7,9,11,13,22H2,1-2H3,(H2,23,24,25,26,27)/t14-,15-,16-/m1/s1
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| InChIKey |
XQFLBDFFGHEFGF-BZUAXINKSA-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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