General Information of the Compound
| Compound ID |
CP0698479
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| Compound Name |
6-[(3S)-pyrrolidin-3-yl]oxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)isoquinoline
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| Structure |
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| Formula |
C20H18N4O
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| Molecular Weight |
330.391
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| Canonical SMILES |
c1cc2cc(-c3cncc4ccc(O[C@H]5CCNC5)cc34)cnc2[nH]1
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| InChI |
InChI=1S/C20H18N4O/c1-2-16(25-17-4-5-21-11-17)8-18-14(1)9-22-12-19(18)15-7-13-3-6-23-20(13)24-10-15/h1-3,6-10,12,17,21H,4-5,11H2,(H,23,24)/t17-/m0/s1
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| InChIKey |
QAVZVAORORKNHF-KRWDZBQOSA-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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