General Information of the Compound
| Compound ID |
CP0578976
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| Compound Name |
9-[6-(benzylamino)pyrimidin-4-yl]-4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
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| Formula |
C32H42N8O
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| Molecular Weight |
554.743
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| Canonical SMILES |
CC1(C)CCN(Cc2ccc(cn2)N2CC(=O)NC3(CCN(CC3)c3cc(NCc4ccccc4)ncn3)C2)CC1
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| InChI |
InChI=1S/C32H42N8O/c1-31(2)10-14-38(15-11-31)21-26-8-9-27(20-33-26)40-22-30(41)37-32(23-40)12-16-39(17-13-32)29-18-28(35-24-36-29)34-19-25-6-4-3-5-7-25/h3-9,18,20,24H,10-17,19,21-23H2,1-2H3,(H,37,41)(H,34,35,36)
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| InChIKey |
LSPKIAXMFJWAHQ-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