General Information of the Compound
| Compound ID |
CP0338752
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| Compound Name |
N-(3-cyanophenyl)-4-[[(3S)-1-cyclopropylpiperidin-3-yl]methyl]piperazine-1-carboxamide
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| Structure |
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| Formula |
C21H29N5O
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| Molecular Weight |
367.497
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| Canonical SMILES |
O=C(Nc1cccc(c1)C#N)N1CCN(C[C@@H]2CCCN(C2)C2CC2)CC1
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| InChI |
InChI=1S/C21H29N5O/c22-14-17-3-1-5-19(13-17)23-21(27)25-11-9-24(10-12-25)15-18-4-2-8-26(16-18)20-6-7-20/h1,3,5,13,18,20H,2,4,6-12,15-16H2,(H,23,27)/t18-/m0/s1
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| InChIKey |
MSJRIDQJDXRWJK-SFHVURJKSA-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