General Information of the Compound
| Compound ID |
CP0260924
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| Compound Name |
1-[6,7-dichloro-9-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-hydroxyethanone
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| Structure |
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| Formula |
C17H16Cl2N4O2
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| Molecular Weight |
379.247
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| Canonical SMILES |
Cn1cc(cn1)-c1cc(Cl)c(Cl)c2[nH]c3CCN(Cc3c12)C(=O)CO
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| InChI |
InChI=1S/C17H16Cl2N4O2/c1-22-6-9(5-20-22)10-4-12(18)16(19)17-15(10)11-7-23(14(25)8-24)3-2-13(11)21-17/h4-6,21,24H,2-3,7-8H2,1H3
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| InChIKey |
CUFQQVSCNCLUFL-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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