General Information of the Compound
| Compound ID |
CP0464629
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| Compound Name |
1-[4-[(2S)-2-[[(2S)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]-3-hydroxypropyl]phenyl]-3-phenylurea
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| Structure |
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| Formula |
C31H32N4O4
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| Molecular Weight |
524.621
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| Canonical SMILES |
OC[C@H](Cc1ccc(NC(=O)Nc2ccccc2)cc1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12
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| InChI |
InChI=1S/C31H32N4O4/c36-19-24(17-21-13-15-23(16-14-21)34-31(38)33-22-7-2-1-3-8-22)32-18-25(37)20-39-29-12-6-11-28-30(29)26-9-4-5-10-27(26)35-28/h1-16,24-25,32,35-37H,17-20H2,(H2,33,34,38)/t24-,25-/m0/s1
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| InChIKey |
CUHKLIQKCIPDMY-DQEYMECFSA-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