General Information of the Compound
| Compound ID |
CP0198819
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| Compound Name |
(2R)-2-(1H-indol-3-ylmethyl)-2,4-dihydro-1H-pyrido[2,3-b]pyrazin-3-one
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| Structure |
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| Formula |
C16H14N4O
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| Molecular Weight |
278.315
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| Canonical SMILES |
O=C1Nc2ncccc2N[C@@H]1Cc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C16H14N4O/c21-16-14(19-13-6-3-7-17-15(13)20-16)8-10-9-18-12-5-2-1-4-11(10)12/h1-7,9,14,18-19H,8H2,(H,17,20,21)/t14-/m1/s1
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| InChIKey |
DNASGFXXJPEUMJ-CQSZACIVSA-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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