General Information of the Compound
| Compound ID |
CP0236196
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| Compound Name |
[4-[[4-(7-ethylimidazo[1,2-a]pyridin-8-yl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]-[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]methanone
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| Structure |
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| Formula |
C27H39N5O2
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| Molecular Weight |
465.642
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| Canonical SMILES |
CCc1ccn2ccnc2c1N1CCCN(CC2CCN(CC2)C(=O)[C@H]2C[C@@H]3CC[C@H]2O3)CC1
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| InChI |
InChI=1S/C27H39N5O2/c1-2-21-8-14-31-15-9-28-26(31)25(21)30-11-3-10-29(16-17-30)19-20-6-12-32(13-7-20)27(33)23-18-22-4-5-24(23)34-22/h8-9,14-15,20,22-24H,2-7,10-13,16-19H2,1H3/t22-,23-,24+/m0/s1
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| InChIKey |
ZUCRVTBTGIZZTG-KMDXXIMOSA-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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