General Information of the Compound
| Compound ID |
CP0659259
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| Compound Name |
(1S,2S,3R,4R)-3-{6-Bromo-2-[4-(4-methyl-piperazin-1-yl)-phenyl]-3H-imidazo[4,5-b]pyridin-7-ylamino}-bicyclo[2.2.1]hept-5-ene-2-carboxylicacidamide
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| Structure |
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| Formula |
C25H28BrN7O
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| Molecular Weight |
522.451
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| Canonical SMILES |
CN1CCN(c2ccc(-c3nc4c(N[C@H]5[C@@H](C(N)=O)[C@@H]6C=C[C@H]5C6)c(Br)cnc4[nH]3)cc2)CC1
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| InChI |
InChI=1S/C25H28BrN7O/c1-32-8-10-33(11-9-32)17-6-4-14(5-7-17)24-30-22-21(18(26)13-28-25(22)31-24)29-20-16-3-2-15(12-16)19(20)23(27)34/h2-7,13,15-16,19-20H,8-12H2,1H3,(H2,27,34)(H2,28,29,30,31)/t15-,16+,19+,20-/m1/s1
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| InChIKey |
OBSVCNYPGYVQFW-GIYDNNGJSA-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