General Information of the Compound
| Compound ID |
CP0045291
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| Compound Name |
3-(Indol-2-yl)indazole 3
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| Structure |
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| Formula |
C23H22N6O
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| Molecular Weight |
398.47
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| Canonical SMILES |
CC(=O)N1CCN(Cc2ccc3[nH]c(cc3c2)-c2n[nH]c3cc(ccc23)C#N)CC1
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| InChI |
InChI=1S/C23H22N6O/c1-15(30)29-8-6-28(7-9-29)14-17-3-5-20-18(10-17)12-22(25-20)23-19-4-2-16(13-24)11-21(19)26-27-23/h2-5,10-12,25H,6-9,14H2,1H3,(H,26,27)
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| InChIKey |
PHMSPIZKLQNZQG-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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