General Information of the Compound
| Compound ID |
CP0572955
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| Compound Name |
4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,4,9-triazaspiro[5.5]undecan-2-one
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| Structure |
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| Formula |
C29H38N6O
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| Molecular Weight |
486.664
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| Canonical SMILES |
CC1(C)CCN(Cc2ccc(cc2)N2CC(=O)NC3(CCN(CC3)c3ccnc4[nH]ccc34)C2)CC1
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| InChI |
InChI=1S/C29H38N6O/c1-28(2)9-15-33(16-10-28)19-22-3-5-23(6-4-22)35-20-26(36)32-29(21-35)11-17-34(18-12-29)25-8-14-31-27-24(25)7-13-30-27/h3-8,13-14H,9-12,15-21H2,1-2H3,(H,30,31)(H,32,36)
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| InChIKey |
PIIPLBAYSZUVEO-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