General Information of the Compound
| Compound ID |
CP0778798
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| Compound Name |
3-{(1,4-trans)-4-[4-(1H-Indole-4-yl)-piperazin-1-yl]-cyclohexyl}-1H-pyrrolo[2,3-b]pyridine
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| Formula |
C25H29N5
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| Molecular Weight |
399.542
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| Canonical SMILES |
C1=Nc2cccc(N3CCN([C@H]4CC[C@H](c5c[nH]c6ncccc65)CC4)CC3)c2C1
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| InChI |
InChI=1S/C25H29N5/c1-4-23-21(10-12-26-23)24(5-1)30-15-13-29(14-16-30)19-8-6-18(7-9-19)22-17-28-25-20(22)3-2-11-27-25/h1-5,11-12,17-19H,6-10,13-16H2,(H,27,28)/t18-,19-
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| InChIKey |
JBPBBUAOCZNMKP-WGSAOQKQSA-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