General Information of the Compound
| Compound ID |
CP0539575
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| Compound Name |
N-[(3S)-1-[2-[[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-2-oxoethyl]pyrrolidin-3-yl]benzamide
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| Structure |
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| Formula |
C29H31FN4O2
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| Molecular Weight |
486.591
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| Canonical SMILES |
Fc1ccc2C(Cc3cccnc3)C(CCc2c1)NC(=O)CN1CC[C@@H](C1)NC(=O)c1ccccc1
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| InChI |
InChI=1S/C29H31FN4O2/c30-23-9-10-25-22(16-23)8-11-27(26(25)15-20-5-4-13-31-17-20)33-28(35)19-34-14-12-24(18-34)32-29(36)21-6-2-1-3-7-21/h1-7,9-10,13,16-17,24,26-27H,8,11-12,14-15,18-19H2,(H,32,36)(H,33,35)/t24-,26?,27?/m0/s1
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| InChIKey |
MPEMKOPWGHCHBU-NNTRXQOJSA-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