General Information of the Compound
| Compound ID |
CP0574813
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| Compound Name |
US9212187, 330
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| Structure |
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| Formula |
C33H37N5O3
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| Molecular Weight |
551.691
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| Canonical SMILES |
CCN1c2ccc(CN(CCc3cccnc3)C(=O)Cc3cn(C)c4ccccc34)cc2N(C)C(=O)C(C)(C)C1=O
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| InChI |
InChI=1S/C33H37N5O3/c1-6-38-28-14-13-24(18-29(28)36(5)31(40)33(2,3)32(38)41)21-37(17-15-23-10-9-16-34-20-23)30(39)19-25-22-35(4)27-12-8-7-11-26(25)27/h7-14,16,18,20,22H,6,15,17,19,21H2,1-5H3
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| InChIKey |
PTHTUNQWYIDNJP-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