General Information of the Compound
| Compound ID |
CP0365410
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| Compound Name |
(S)-cyclopentyl(2-(3,5-dimethylphenyl)-3-(1-(2-(pyridin-4-yl)ethylamino)propan-2-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-5(4H)-yl)methanone
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| Structure |
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| Formula |
C31H40N4O
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| Molecular Weight |
484.688
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| Canonical SMILES |
C[C@H](CNCCc1ccncc1)c1c2CN(CCc2[nH]c1-c1cc(C)cc(C)c1)C(=O)C1CCCC1
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| InChI |
InChI=1S/C31H40N4O/c1-21-16-22(2)18-26(17-21)30-29(23(3)19-33-14-10-24-8-12-32-13-9-24)27-20-35(15-11-28(27)34-30)31(36)25-6-4-5-7-25/h8-9,12-13,16-18,23,25,33-34H,4-7,10-11,14-15,19-20H2,1-3H3/t23-/m1/s1
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| InChIKey |
NENDTQVPHSVAAD-HSZRJFAPSA-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