General Information of the Compound
| Compound ID |
CP0275949
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| Compound Name |
4-[4-(1,3-benzodioxol-5-yl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine
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| Structure |
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| Formula |
C19H15N5O2
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| Molecular Weight |
345.362
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| Canonical SMILES |
Cc1nc(-c2ccc3OCOc3c2)c2c(c[nH]c2n1)-c1ccnc(N)c1
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| InChI |
InChI=1S/C19H15N5O2/c1-10-23-18(12-2-3-14-15(6-12)26-9-25-14)17-13(8-22-19(17)24-10)11-4-5-21-16(20)7-11/h2-8H,9H2,1H3,(H2,20,21)(H,22,23,24)
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| InChIKey |
CEFPPDKMUCDGCU-UHFFFAOYSA-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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