General Information of the Compound
| Compound ID |
CP0576032
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| Compound Name |
1'-[(2-amino-1,3-thiazol-5-yl)methyl]-2-(cyclopropylmethylamino)-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 |
C25H29N7O2S
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| Molecular Weight |
491.621
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| Canonical SMILES |
COc1ccc(cc1)N1Cc2cnc(NCC3CC3)nc2C2(CCN(Cc3cnc(N)s3)C2)C1=O
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| InChI |
InChI=1S/C25H29N7O2S/c1-34-19-6-4-18(5-7-19)32-13-17-11-29-24(28-10-16-2-3-16)30-21(17)25(22(32)33)8-9-31(15-25)14-20-12-27-23(26)35-20/h4-7,11-12,16H,2-3,8-10,13-15H2,1H3,(H2,26,27)(H,28,29,30)
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| InChIKey |
ZLVDDYSMLCYSBC-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