General Information of the Compound
| Compound ID |
CP0304505
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| Compound Name |
(2S)-3-[11-(1-cyclopropyltetrazol-5-yl)-3-methyl-7-(methylamino)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-10-yl]propane-1,2-diol
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| Structure |
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| Formula |
C17H21N9O2
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| Molecular Weight |
383.416
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| Canonical SMILES |
CNc1nc2n(C[C@H](O)CO)c(cc2c2n(C)cnc12)-c1nnnn1C1CC1
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| InChI |
InChI=1S/C17H21N9O2/c1-18-15-13-14(24(2)8-19-13)11-5-12(17-21-22-23-26(17)9-3-4-9)25(16(11)20-15)6-10(28)7-27/h5,8-10,27-28H,3-4,6-7H2,1-2H3,(H,18,20)/t10-/m0/s1
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| InChIKey |
DVXHPBTZLUHDMH-JTQLQIEISA-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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound