General Information of the Compound
| Compound ID |
CP0506585
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| Compound Name |
1-[4-[5-[[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methyl]furan-2-yl]but-3-yn-2-yl]-1-hydroxyurea
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| Structure |
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| Formula |
C27H29ClN4O3
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| Molecular Weight |
493.007
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| Canonical SMILES |
CC(C#Cc1ccc(CN2CCN(CC2)[C@H](c2ccccc2)c2ccc(Cl)cc2)o1)N(O)C(N)=O
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| InChI |
InChI=1S/C27H29ClN4O3/c1-20(32(34)27(29)33)7-12-24-13-14-25(35-24)19-30-15-17-31(18-16-30)26(21-5-3-2-4-6-21)22-8-10-23(28)11-9-22/h2-6,8-11,13-14,20,26,34H,15-19H2,1H3,(H2,29,33)/t20?,26-/m1/s1
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| InChIKey |
FJXRDARXFNFHEP-NBXNUCLWSA-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