General Information of the Compound
| Compound ID |
CP0636743
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| Compound Name |
(+/-)-5-(2-Amino-1H-1,3-benzodiazol-5-yl)-2-(1-cyclopropylethyl)-7-methyl-2,3-dihydro-1H-isoindol-1-one
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| Formula |
C21H22N4O
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| Molecular Weight |
346.434
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| Canonical SMILES |
Cc1cc(-c2ccc3[nH]c(N)nc3c2)cc2c1C(=O)N([C@@H](C)C1CC1)C2
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| InChI |
InChI=1S/C21H22N4O/c1-11-7-15(14-5-6-17-18(9-14)24-21(22)23-17)8-16-10-25(20(26)19(11)16)12(2)13-3-4-13/h5-9,12-13H,3-4,10H2,1-2H3,(H3,22,23,24)/t12-/m0/s1
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| InChIKey |
QUWWGVAFYRLTLW-LBPRGKRZSA-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