General Information of the Compound
| Compound ID |
CP0564625
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| Compound Name |
5-[(3R,5R)-5-methyl-1-[2-(4-methylpiperazin-1-yl)acetyl]piperidin-3-yl]quinoline-8-carbonitrile
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| Structure |
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| Formula |
C23H29N5O
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| Molecular Weight |
391.519
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| Canonical SMILES |
C[C@@H]1C[C@@H](CN(C1)C(=O)CN1CCN(C)CC1)c1ccc(C#N)c2ncccc12
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| InChI |
InChI=1S/C23H29N5O/c1-17-12-19(20-6-5-18(13-24)23-21(20)4-3-7-25-23)15-28(14-17)22(29)16-27-10-8-26(2)9-11-27/h3-7,17,19H,8-12,14-16H2,1-2H3/t17-,19+/m1/s1
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| InChIKey |
GXPHGRGREUNSQX-MJGOQNOKSA-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