General Information of the Compound
| Compound ID |
CP0304264
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| Compound Name |
3-(2-chlorophenyl)-12-methoxy-5-methyl-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
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| Structure |
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| Formula |
C16H12ClN5O
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| Molecular Weight |
325.759
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| Canonical SMILES |
COc1ccc2nnc3c(C)nc(-c4ccccc4Cl)n3c2n1
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| InChI |
InChI=1S/C16H12ClN5O/c1-9-14-21-20-12-7-8-13(23-2)19-16(12)22(14)15(18-9)10-5-3-4-6-11(10)17/h3-8H,1-2H3
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| InChIKey |
UEHYTJCPYRCAPM-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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