General Information of the Compound
| Compound ID |
CP0425339
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| Compound Name |
1-{4-[4-(3-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}propoxy)phenyl]but-3-yn-1-yl}-1-hydroxyurea
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| Structure |
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| Formula |
C31H35ClN4O3
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| Molecular Weight |
547.099
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| Canonical SMILES |
NC(=O)N(O)CCC#Cc1ccc(OCCCN2CCN(CC2)[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C31H35ClN4O3/c32-28-14-12-27(13-15-28)30(26-8-2-1-3-9-26)35-22-20-34(21-23-35)18-6-24-39-29-16-10-25(11-17-29)7-4-5-19-36(38)31(33)37/h1-3,8-17,30,38H,5-6,18-24H2,(H2,33,37)/t30-/m1/s1
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| InChIKey |
LWOMEPYLSGEMDX-SSEXGKCCSA-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