General Information of the Compound
| Compound ID |
CP0543179
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| Compound Name |
(3S)-3-(2-benzyl-3-chloro-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-8-carbonitrile
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| Structure |
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| Formula |
C24H20ClN5O3
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| Molecular Weight |
461.909
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| Canonical SMILES |
CN1c2ccc(cc2OC[C@H](N2CCc3c(Cl)n(Cc4ccccc4)nc3C2=O)C1=O)C#N
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| InChI |
InChI=1S/C24H20ClN5O3/c1-28-18-8-7-16(12-26)11-20(18)33-14-19(23(28)31)29-10-9-17-21(24(29)32)27-30(22(17)25)13-15-5-3-2-4-6-15/h2-8,11,19H,9-10,13-14H2,1H3/t19-/m0/s1
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| InChIKey |
JWKONLKXWPCOJF-IBGZPJMESA-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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Table of Molecular Bioactivities Related to the Compound