General Information of the Compound
| Compound ID |
CP0917607
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| Compound Name |
4-Cyano-N-{(S)-1-[4-(3-dimethylamino-propoxy)-benzyl]-pyrrolidin-3-yl}-benzamide
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| Structure |
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| Formula |
C24H30N4O2
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| Molecular Weight |
406.53
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| Canonical SMILES |
CN(C)CCCOc1ccc(CN2CC[C@H](NC(=O)c3ccc(C#N)cc3)C2)cc1
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| InChI |
InChI=1S/C24H30N4O2/c1-27(2)13-3-15-30-23-10-6-20(7-11-23)17-28-14-12-22(18-28)26-24(29)21-8-4-19(16-25)5-9-21/h4-11,22H,3,12-15,17-18H2,1-2H3,(H,26,29)/t22-/m0/s1
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| InChIKey |
IQQMBSCNZDSBKA-QFIPXVFZSA-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