General Information of the Compound
| Compound ID |
CP0499616
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| Compound Name |
1-[2-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]indazol-5-yl]-3-(4-phenoxyphenyl)urea
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| Structure |
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| Formula |
C26H27N5O3
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| Molecular Weight |
457.534
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| Canonical SMILES |
O[C@H]1CCN(CCn2cc3cc(NC(=O)Nc4ccc(Oc5ccccc5)cc4)ccc3n2)C1
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| InChI |
InChI=1S/C26H27N5O3/c32-22-12-13-30(18-22)14-15-31-17-19-16-21(8-11-25(19)29-31)28-26(33)27-20-6-9-24(10-7-20)34-23-4-2-1-3-5-23/h1-11,16-17,22,32H,12-15,18H2,(H2,27,28,33)/t22-/m0/s1
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| InChIKey |
FKEHSKGAWARCKO-QFIPXVFZSA-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