General Information of the Compound
| Compound ID |
CP0490294
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| Compound Name |
2-(1-(naphthalen-1-ylmethyl)-3-(3-(piperidin-1-yl)propyl)imidazolidin-2-ylidene)malononitrile
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| Structure |
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| Formula |
C25H29N5
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| Molecular Weight |
399.542
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| Canonical SMILES |
N#CC(C#N)=C1N(CCCN2CCCCC2)CCN1Cc1cccc2ccccc12
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| InChI |
InChI=1S/C25H29N5/c26-18-23(19-27)25-29(15-7-14-28-12-4-1-5-13-28)16-17-30(25)20-22-10-6-9-21-8-2-3-11-24(21)22/h2-3,6,8-11H,1,4-5,7,12-17,20H2
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| InChIKey |
SHRSGQGHSIIIOH-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