General Information of the Compound
| Compound ID |
CP0909326
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| Compound Name |
SID87336768
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| Formula |
C36H49ClN4O3
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| Molecular Weight |
621.266
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| Canonical SMILES |
CC(C)N(C(=O)[C@H]1C[C@H](CC(=O)NCC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)C(=O)N2CCc3c([nH]c4ccc(Cl)cc34)[C@]12C)C(C)C
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| InChI |
InChI=1S/C36H49ClN4O3/c1-20(2)41(21(3)4)34(44)29-13-25(14-31(42)38-19-36-16-22-10-23(17-36)12-24(11-22)18-36)33(43)40-9-8-27-28-15-26(37)6-7-30(28)39-32(27)35(29,40)5/h6-7,15,20-25,29,39H,8-14,16-19H2,1-5H3,(H,38,42)/t22-,23+,24-,25-,29-,35+,36?/m1/s1
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| InChIKey |
XZTXVCQAIABVAY-WGQUWVCBSA-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3