General Information of the Compound
| Compound ID |
CP0198989
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| Compound Name |
3-[(1,4-trans)-4-(4-Quinolin-8-yl-piperazin-1-yl)-cyclohexyl]-1H-indole-5-carbonitrile
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| Formula |
C28H29N5
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| Molecular Weight |
435.575
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| Canonical SMILES |
N#Cc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4cccnc34)c2c1
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| InChI |
InChI=1S/C28H29N5/c29-18-20-6-11-26-24(17-20)25(19-31-26)21-7-9-23(10-8-21)32-13-15-33(16-14-32)27-5-1-3-22-4-2-12-30-28(22)27/h1-6,11-12,17,19,21,23,31H,7-10,13-16H2/t21-,23-
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| InChIKey |
HNDDWMZUMFRVLD-AFARHQOCSA-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