General Information of the Compound
| Compound ID |
CP0378101
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| Compound Name |
1-[1-(3-Cyclopentylamino-propyl)-1H-indazol-5-yl]-3-(4-phenoxy-phenyl)-urea
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| Structure |
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| Formula |
C28H31N5O2
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| Molecular Weight |
469.589
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| Canonical SMILES |
O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2n(CCCNC3CCCC3)ncc2c1
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| InChI |
InChI=1S/C28H31N5O2/c34-28(31-23-11-14-26(15-12-23)35-25-9-2-1-3-10-25)32-24-13-16-27-21(19-24)20-30-33(27)18-6-17-29-22-7-4-5-8-22/h1-3,9-16,19-20,22,29H,4-8,17-18H2,(H2,31,32,34)
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| InChIKey |
DFSPHRXFDNSOGP-UHFFFAOYSA-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