General Information of the Compound
| Compound ID |
CP0530960
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| Compound Name |
[3-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]urea
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| Structure |
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| Formula |
C21H26N4O2
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| Molecular Weight |
366.465
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| Canonical SMILES |
N[C@@H]1CCCN(C1)[C@H]1Cc2ccccc2[C@@H]1Oc1cccc(NC(N)=O)c1
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| InChI |
InChI=1S/C21H26N4O2/c22-15-6-4-10-25(13-15)19-11-14-5-1-2-9-18(14)20(19)27-17-8-3-7-16(12-17)24-21(23)26/h1-3,5,7-9,12,15,19-20H,4,6,10-11,13,22H2,(H3,23,24,26)/t15-,19+,20+/m1/s1
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| InChIKey |
AKPBQBKCNXJXAK-XPGWFJOJSA-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