General Information of the Compound
| Compound ID |
CP0050219
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| Compound Name |
4-[4-[1-(6-methoxypyrimidin-4-yl)-8-[(3-methylpyridin-2-yl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]phenyl]-N,N-dimethylbenzamide
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| Structure |
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| Formula |
C34H35N7O4
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| Molecular Weight |
605.699
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| Canonical SMILES |
COc1cc(ncn1)N1C(=O)N(C(=O)C11CCN(Cc2ncccc2C)CC1)c1ccc(cc1)-c1ccc(cc1)C(=O)N(C)C
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| InChI |
InChI=1S/C34H35N7O4/c1-23-6-5-17-35-28(23)21-39-18-15-34(16-19-39)32(43)40(33(44)41(34)29-20-30(45-4)37-22-36-29)27-13-11-25(12-14-27)24-7-9-26(10-8-24)31(42)38(2)3/h5-14,17,20,22H,15-16,18-19,21H2,1-4H3
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| InChIKey |
RDZUCMBSXVPKNU-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