General Information of the Compound
| Compound ID |
CP0574239
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| Compound Name |
2-(cyclopropylmethylamino)-1'-[(2-fluorophenyl)methyl]-6-(4-methoxyphenyl)spiro[5H-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one
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| Structure |
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| Formula |
C28H30FN5O2
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| Molecular Weight |
487.579
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| Canonical SMILES |
COc1ccc(cc1)N1Cc2cnc(NCC3CC3)nc2C2(CCN(Cc3ccccc3F)C2)C1=O
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| InChI |
InChI=1S/C28H30FN5O2/c1-36-23-10-8-22(9-11-23)34-17-21-15-31-27(30-14-19-6-7-19)32-25(21)28(26(34)35)12-13-33(18-28)16-20-4-2-3-5-24(20)29/h2-5,8-11,15,19H,6-7,12-14,16-18H2,1H3,(H,30,31,32)
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| InChIKey |
PSYXVUGESXGAMG-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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound