General Information of the Compound
| Compound ID |
CP0436145
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| Compound Name |
US9212153, 139,Ex. 104
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| Structure |
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| Formula |
C29H30N4O2
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| Molecular Weight |
466.585
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| Canonical SMILES |
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(Cc3ccccc3)C2=O)-c2cccnc2)CC1
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| InChI |
InChI=1S/C29H30N4O2/c1-35-24-11-13-28(14-12-24)17-22-10-9-21(23-8-5-15-31-18-23)16-25(22)29(28)26(34)33(27(30)32-29)19-20-6-3-2-4-7-20/h2-10,15-16,18,24H,11-14,17,19H2,1H3,(H2,30,32)
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| InChIKey |
LXPIDRWMVPWZCB-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