General Information of the Compound
| Compound ID |
CP0501783
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| Compound Name |
(S)-2-(2-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-3-yl)-N-(2-(pyridin-4-yl)ethyl)propan-1-amine
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| Structure |
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| Formula |
C25H32N4
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| Molecular Weight |
388.559
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| Canonical SMILES |
C[C@H](CNCCc1ccncc1)c1c2CNCCc2[nH]c1-c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C25H32N4/c1-17-12-18(2)14-21(13-17)25-24(22-16-28-11-7-23(22)29-25)19(3)15-27-10-6-20-4-8-26-9-5-20/h4-5,8-9,12-14,19,27-29H,6-7,10-11,15-16H2,1-3H3/t19-/m1/s1
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| InChIKey |
CGMXRZJAQKSMCY-LJQANCHMSA-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