General Information of the Compound
| Compound ID |
CP0907494
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| Compound Name |
SID87349250
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| Structure |
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| Formula |
C35H42N4O5
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| Molecular Weight |
598.744
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| Canonical SMILES |
C[C@]12c3[nH]c4cc(-c5ccco5)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCCC1=CCCCC1)C[C@@H]2C(=O)N1CCOCC1
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| InChI |
InChI=1S/C35H42N4O5/c1-35-28(34(42)38-15-18-43-19-16-38)20-25(22-31(40)36-13-11-23-6-3-2-4-7-23)33(41)39(35)14-12-27-26-10-9-24(30-8-5-17-44-30)21-29(26)37-32(27)35/h5-6,8-10,17,21,25,28,37H,2-4,7,11-16,18-20,22H2,1H3,(H,36,40)/t25-,28-,35+/m1/s1
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| InChIKey |
GLSQRQIUHIRYRO-ZDMRONSHSA-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: PT06172, Mothers against decapentaplegic homolog 3