General Information of the Compound
| Compound ID |
CP0571510
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| Compound Name |
(S)-2,9-dimethyl-6-(3- (3-(methylamino)-1- (thiophen-2- yl)propoxy)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 |
C23H27N5O2S
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| Molecular Weight |
437.569
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| Canonical SMILES |
CNCC[C@H](Oc1cccc(c1)N1CCN(C)c2nc(C)ncc2C1=O)c1cccs1
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| InChI |
InChI=1S/C23H27N5O2S/c1-16-25-15-19-22(26-16)27(3)11-12-28(23(19)29)17-6-4-7-18(14-17)30-20(9-10-24-2)21-8-5-13-31-21/h4-8,13-15,20,24H,9-12H2,1-3H3/t20-/m0/s1
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| InChIKey |
QSGMFCUAWLYRRU-FQEVSTJZSA-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