General Information of the Compound
| Compound ID |
CP0177722
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| Compound Name |
(3R)-1-[[1-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methylpyrrol-3-yl]methyl]pyrrolidin-3-ol
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| Structure |
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| Formula |
C22H27N5O
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| Molecular Weight |
377.492
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| Canonical SMILES |
Cc1cn(cc1CN1CC[C@@H](O)C1)-c1ccnc(Nc2cc(C)cc(C)c2)n1
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| InChI |
InChI=1S/C22H27N5O/c1-15-8-16(2)10-19(9-15)24-22-23-6-4-21(25-22)27-11-17(3)18(13-27)12-26-7-5-20(28)14-26/h4,6,8-11,13,20,28H,5,7,12,14H2,1-3H3,(H,23,24,25)/t20-/m1/s1
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| InChIKey |
APIGRKGHKBCGNE-HXUWFJFHSA-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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