General Information of the Compound
| Compound ID |
CP0568860
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| Compound Name |
2-(cyclopropylmethylamino)-6-(4-methoxyphenyl)-1'-(1,3-thiazol-4-ylmethyl)spiro[5H-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one
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| Structure |
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| Formula |
C25H28N6O2S
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| Molecular Weight |
476.606
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| Canonical SMILES |
COc1ccc(cc1)N1Cc2cnc(NCC3CC3)nc2C2(CCN(Cc3cscn3)C2)C1=O
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| InChI |
InChI=1S/C25H28N6O2S/c1-33-21-6-4-20(5-7-21)31-12-18-11-27-24(26-10-17-2-3-17)29-22(18)25(23(31)32)8-9-30(15-25)13-19-14-34-16-28-19/h4-7,11,14,16-17H,2-3,8-10,12-13,15H2,1H3,(H,26,27,29)
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| InChIKey |
LNQCEIDJPQDIQB-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