General Information of the Compound
| Compound ID |
CP0845207
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| Compound Name |
NRB 03731
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| Structure |
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| Formula |
C20H31N3O2
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| Molecular Weight |
345.487
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| Canonical SMILES |
C[C@]12CC[C@H](O)CC1=CCC1C2CC[C@]2(C)/C(=N/NC(N)=O)CCC12
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| InChI |
InChI=1S/C20H31N3O2/c1-19-9-7-13(24)11-12(19)3-4-14-15-5-6-17(22-23-18(21)25)20(15,2)10-8-16(14)19/h3,13-16,24H,4-11H2,1-2H3,(H3,21,23,25)/b22-17+/t13-,14?,15?,16?,19-,20-/m0/s1
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| InChIKey |
YQFYQKHUSBMOSC-RINSPZFGSA-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