General Information of the Compound
| Compound ID |
CP0923105
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| Compound Name |
N4-((R)-1-((R)-3-(methylcarbamoyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)-1-oxo-3-phenylpropan-2-yl)-1H-pyrrole-2,4-dicarboxamide
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| Formula |
C28H28N6O4
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| Molecular Weight |
512.57
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| Canonical SMILES |
CNC(=O)[C@H]1Cc2c([nH]c3ccccc23)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)c1c[nH]c(C(N)=O)c1
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| InChI |
InChI=1S/C28H28N6O4/c1-30-27(37)24-13-19-18-9-5-6-10-20(18)32-23(19)15-34(24)28(38)22(11-16-7-3-2-4-8-16)33-26(36)17-12-21(25(29)35)31-14-17/h2-10,12,14,22,24,31-32H,11,13,15H2,1H3,(H2,29,35)(H,30,37)(H,33,36)/t22-,24-/m1/s1
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| InChIKey |
BQMQLZXJTNCVAW-ISKFKSNPSA-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