General Information of the Compound
| Compound ID |
CP0574682
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| Compound Name |
(S)-2-(ethylamino)-9- methyl-6-(3-(3- (methylamino)-1- phenylpropoxy)phenyl)- 6,7,8,9-tetrahydro-5H- pyrimido[4,5- e][1,4]diazepin-5-one
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| Structure |
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| Formula |
C26H32N6O2
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| Molecular Weight |
460.582
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| Canonical SMILES |
CCNc1ncc2c(n1)N(C)CCN(c1cccc(O[C@@H](CCNC)c3ccccc3)c1)C2=O
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| InChI |
InChI=1S/C26H32N6O2/c1-4-28-26-29-18-22-24(30-26)31(3)15-16-32(25(22)33)20-11-8-12-21(17-20)34-23(13-14-27-2)19-9-6-5-7-10-19/h5-12,17-18,23,27H,4,13-16H2,1-3H3,(H,28,29,30)/t23-/m0/s1
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| InChIKey |
MGGCXTKDCMPNFI-QHCPKHFHSA-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