General Information of the Compound
| Compound ID |
CP0432209
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| Compound Name |
N-[(5-chlorothiophen-2-yl)methyl]-3-[(3S)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)aniline
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| Structure |
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| Formula |
C17H18ClF3N2OS
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| Molecular Weight |
390.858
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| Canonical SMILES |
CN1CC[C@@H](C1)Oc1cc(NCc2ccc(Cl)s2)ccc1C(F)(F)F
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| InChI |
InChI=1S/C17H18ClF3N2OS/c1-23-7-6-12(10-23)24-15-8-11(2-4-14(15)17(19,20)21)22-9-13-3-5-16(18)25-13/h2-5,8,12,22H,6-7,9-10H2,1H3/t12-/m0/s1
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| InChIKey |
GYEPDUPABPHDET-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