General Information of the Compound
| Compound ID |
CP0152499
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| Compound Name |
(S)-N-(cyclopropylmethyl)-N-(pyrrolidin-3-yl)-2-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C16H19F3N2O
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| Molecular Weight |
312.335
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| Canonical SMILES |
FC(F)(F)c1ccccc1C(=O)N(CC1CC1)[C@H]1CCNC1
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| InChI |
InChI=1S/C16H19F3N2O/c17-16(18,19)14-4-2-1-3-13(14)15(22)21(10-11-5-6-11)12-7-8-20-9-12/h1-4,11-12,20H,5-10H2/t12-/m0/s1
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| InChIKey |
NQUQUDJZIDCEFJ-LBPRGKRZSA-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
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter