General Information of the Compound
| Compound ID |
CP0507004
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| Compound Name |
1-[4-[(2R,5R)-5-[[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methyl]oxolan-2-yl]but-3-ynyl]-1-hydroxyurea
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| Structure |
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| Formula |
C27H33ClN4O3
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| Molecular Weight |
497.039
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| Canonical SMILES |
NC(=O)N(O)CCC#C[C@H]1CC[C@H](CN2CCN(CC2)[C@H](c2ccccc2)c2ccc(Cl)cc2)O1
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| InChI |
InChI=1S/C27H33ClN4O3/c28-23-11-9-22(10-12-23)26(21-6-2-1-3-7-21)31-18-16-30(17-19-31)20-25-14-13-24(35-25)8-4-5-15-32(34)27(29)33/h1-3,6-7,9-12,24-26,34H,5,13-20H2,(H2,29,33)/t24-,25+,26+/m0/s1
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| InChIKey |
ZBUWQTCXTJMDCD-JIMJEQGWSA-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