General Information of the Compound
| Compound ID |
CP0496986
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| Compound Name |
(1R)-N-((1R)-1-phenylethyl)-1-(1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)-1-propanamine
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| Structure |
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| Formula |
C21H22F3N3
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| Molecular Weight |
373.422
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| Canonical SMILES |
CC[C@@H](N[C@H](C)c1ccccc1)c1ccn(n1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C21H22F3N3/c1-3-19(25-15(2)16-7-5-4-6-8-16)20-13-14-27(26-20)18-11-9-17(10-12-18)21(22,23)24/h4-15,19,25H,3H2,1-2H3/t15-,19-/m1/s1
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| InChIKey |
SKNFXIHUJHJEBB-DNVCBOLYSA-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