General Information of the Compound
| Compound ID |
CP0897327
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| Compound Name |
SID85272524
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| Structure |
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| Formula |
C28H37N5O7
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| Molecular Weight |
555.632
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| Canonical SMILES |
CC(C)NC(=O)N(C)C[C@H]1Oc2c(NC(=O)Nc3ccc4c(c3)OCO4)cccc2C(=O)N([C@H](C)CO)C[C@@H]1C
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| InChI |
InChI=1S/C28H37N5O7/c1-16(2)29-28(37)32(5)13-24-17(3)12-33(18(4)14-34)26(35)20-7-6-8-21(25(20)40-24)31-27(36)30-19-9-10-22-23(11-19)39-15-38-22/h6-11,16-18,24,34H,12-15H2,1-5H3,(H,29,37)(H2,30,31,36)/t17-,18+,24+/m0/s1
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| InChIKey |
DCIKUPGCQMUSCO-HOOSLVGPSA-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
Protein ID: PT06109, Geminin
Protein ID: PT06101, Latent membrane protein 1