General Information of the Compound
| Compound ID |
CP0159464
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| Compound Name |
(S)-(1-(cyclohexylmethyl)-7-methoxy-1H-indol-3-yl)(dihydro-1H-pyrido[1,2-a]pyrazin-2(6H,7H,8H,9H,9aH)-yl)methanone
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| Structure |
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| Formula |
C25H35N3O2
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| Molecular Weight |
409.574
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| Canonical SMILES |
COc1cccc2c(cn(CC3CCCCC3)c12)C(=O)N1CCN2CCCC[C@H]2C1
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| InChI |
InChI=1S/C25H35N3O2/c1-30-23-12-7-11-21-22(18-28(24(21)23)16-19-8-3-2-4-9-19)25(29)27-15-14-26-13-6-5-10-20(26)17-27/h7,11-12,18-20H,2-6,8-10,13-17H2,1H3/t20-/m0/s1
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| InChIKey |
NTIFEVGVXWYYHK-FQEVSTJZSA-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