General Information of the Compound
| Compound ID |
CP0908475
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| Compound Name |
SID87336910
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| Structure |
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| Formula |
C38H50ClN5O4
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| Molecular Weight |
676.302
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| Canonical SMILES |
CC[C@]12c3[nH]c4ccc(Cl)cc4c3CCN1C(=O)[C@@H](CC(=O)NC/C=C(\C)CCC=C(C)C)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1
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| InChI |
InChI=1S/C38H50ClN5O4/c1-5-38-31(37(48)43-19-17-42(18-20-43)35(46)26-9-10-26)21-27(22-33(45)40-15-13-25(4)8-6-7-24(2)3)36(47)44(38)16-14-29-30-23-28(39)11-12-32(30)41-34(29)38/h7,11-13,23,26-27,31,41H,5-6,8-10,14-22H2,1-4H3,(H,40,45)/b25-13+/t27-,31-,38+/m1/s1
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| InChIKey |
PQYQQANPFRYWRM-MYKZSIRISA-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