General Information of the Compound
| Compound ID |
CP0579347
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| Compound Name |
2-(cyclopropylmethylamino)-1'-[(2-fluorophenyl)methyl]-6-(4-methoxyphenyl)-4-methylspiro[5H-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one
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| Structure |
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| Formula |
C29H32FN5O2
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| Molecular Weight |
501.606
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| Canonical SMILES |
COc1ccc(cc1)N1Cc2c(C)nc(NCC3CC3)nc2C2(CCN(Cc3ccccc3F)C2)C1=O
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| InChI |
InChI=1S/C29H32FN5O2/c1-19-24-17-35(22-9-11-23(37-2)12-10-22)27(36)29(26(24)33-28(32-19)31-15-20-7-8-20)13-14-34(18-29)16-21-5-3-4-6-25(21)30/h3-6,9-12,20H,7-8,13-18H2,1-2H3,(H,31,32,33)
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| InChIKey |
RSWNEOWVTGJWBS-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