General Information of the Compound
| Compound ID |
CP0472294
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| Compound Name |
US9428456, 1.018
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| Structure |
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| Formula |
C27H39N3O2
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| Molecular Weight |
437.628
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| Canonical SMILES |
O=C(Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1)C1C[C@@H]2CC[C@H]1C2
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| InChI |
InChI=1S/C27H39N3O2/c31-26(28-23-6-2-1-3-7-23)21-11-13-30(14-12-21)18-20-5-4-8-24(16-20)29-27(32)25-17-19-9-10-22(25)15-19/h4-5,8,16,19,21-23,25H,1-3,6-7,9-15,17-18H2,(H,28,31)(H,29,32)/t19-,22+,25?/m1/s1
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| InChIKey |
UFIYRLCEYHWOND-TUCIMNAFSA-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