General Information of the Compound
| Compound ID |
CP0930774
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| Compound Name |
US8921559, 43
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| Formula |
C29H35N5O2
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| Molecular Weight |
485.632
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| Canonical SMILES |
NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3cccnc32)CC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1
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| InChI |
InChI=1S/C29H35N5O2/c30-29(36)27(22-14-17-34(18-15-22)26(35)13-8-20-5-2-1-3-6-20)33-23-11-9-21(10-12-23)24-19-32-25-7-4-16-31-28(24)25/h1-8,13,16,19,21-23,27,32-33H,9-12,14-15,17-18H2,(H2,30,36)/b13-8+/t21-,23-,27?
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| InChIKey |
MJSFLVJUGNODPI-GARWITFHSA-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