General Information of the Compound
| Compound ID |
CP0086763
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| Compound Name |
N-[2-[[6-benzyl-2-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-4-yl]oxy]ethyl]prop-2-enamide
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| Structure |
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| Formula |
C30H26N6O2
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| Molecular Weight |
502.578
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| Canonical SMILES |
C=CC(=O)NCCOc1cc(Cc2ccccc2)cc2[nH]c(cc12)-c1n[nH]c2cc(ccc12)-c1cn[nH]c1
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| InChI |
InChI=1S/C30H26N6O2/c1-2-29(37)31-10-11-38-28-14-20(12-19-6-4-3-5-7-19)13-25-24(28)16-27(34-25)30-23-9-8-21(15-26(23)35-36-30)22-17-32-33-18-22/h2-9,13-18,34H,1,10-12H2,(H,31,37)(H,32,33)(H,35,36)
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| InChIKey |
LARWIZLZQUNUQG-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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