General Information of the Compound
| Compound ID |
CP0519028
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| Compound Name |
US9212153, 197,Ex. 158
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| Structure |
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| Formula |
C22H25N5O2
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| Molecular Weight |
391.475
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| Canonical SMILES |
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cnccn2)CC1
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| InChI |
InChI=1S/C22H25N5O2/c1-27-19(28)22(26-20(27)23)17-11-14(18-13-24-9-10-25-18)3-4-15(17)12-21(22)7-5-16(29-2)6-8-21/h3-4,9-11,13,16H,5-8,12H2,1-2H3,(H2,23,26)
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| InChIKey |
KAKULGGJWZOCJI-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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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