General Information of the Compound
| Compound ID |
CP0924001
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| Compound Name |
SID87342346
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| Structure |
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| Formula |
C34H48N4O4
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| Molecular Weight |
576.782
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| Canonical SMILES |
COc1ccc2[nH]c3c(c2c1)CCN1C(=O)C(CC(=O)NCCC2=CCCCC2)C[C@H](C(=O)N(C(C)C)C(C)C)[C@@]31C
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| InChI |
InChI=1S/C34H48N4O4/c1-21(2)38(22(3)4)33(41)28-18-24(19-30(39)35-16-14-23-10-8-7-9-11-23)32(40)37-17-15-26-27-20-25(42-6)12-13-29(27)36-31(26)34(28,37)5/h10,12-13,20-22,24,28,36H,7-9,11,14-19H2,1-6H3,(H,35,39)/t24?,28-,34+/m1/s1
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| InChIKey |
GAEQIABDFQVPQK-NZAVVRQOSA-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