General Information of the Compound
| Compound ID |
CP0579856
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| Compound Name |
5-(cyclohexylmethyl)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
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| Structure |
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| Formula |
C24H29N5O
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| Molecular Weight |
403.53
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| Canonical SMILES |
O=c1cc(CC2CCCCC2)[nH]c2nc(Nc3c4CCCc4cc4CCCc34)nn12
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| InChI |
InChI=1S/C24H29N5O/c30-21-14-18(12-15-6-2-1-3-7-15)25-24-27-23(28-29(21)24)26-22-19-10-4-8-16(19)13-17-9-5-11-20(17)22/h13-15H,1-12H2,(H2,25,26,27,28)
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| InChIKey |
FCHRJUHUDIEMOK-UHFFFAOYSA-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