General Information of the Compound
| Compound ID |
CP0194072
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| Compound Name |
1-[4-({2-[6-(1H-1,2,3,4-tetrazol-5-yl)-1H-indazol-3-yl]-1H-indol-5-yl}methyl)piperazin-1-yl]ethan-1-one
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| Structure |
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| Formula |
C23H23N9O
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| Molecular Weight |
441.499
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| Canonical SMILES |
CC(=O)N1CCN(Cc2ccc3[nH]c(cc3c2)-c2n[nH]c3cc(ccc23)-c2nnn[nH]2)CC1
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| InChI |
InChI=1S/C23H23N9O/c1-14(33)32-8-6-31(7-9-32)13-15-2-5-19-17(10-15)12-21(24-19)22-18-4-3-16(11-20(18)25-26-22)23-27-29-30-28-23/h2-5,10-12,24H,6-9,13H2,1H3,(H,25,26)(H,27,28,29,30)
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| InChIKey |
CRORYKZRUAIGSN-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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