General Information of the Compound
| Compound ID |
CP0388927
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| Compound Name |
(1S)-1-[6-[4-(1H-imidazol-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,4-benzodiazepin-7-yl]pyridin-2-yl]ethane-1,2-diol
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| Structure |
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| Formula |
C27H26F3N5O2
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| Molecular Weight |
509.532
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| Canonical SMILES |
OC[C@@H](O)c1cccc(n1)-c1ccc2N(CCN(Cc3ncc[nH]3)Cc2c1)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C27H26F3N5O2/c28-27(29,30)20-5-7-21(8-6-20)35-13-12-34(16-26-31-10-11-32-26)15-19-14-18(4-9-24(19)35)22-2-1-3-23(33-22)25(37)17-36/h1-11,14,25,36-37H,12-13,15-17H2,(H,31,32)/t25-/m1/s1
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| InChIKey |
MFDGNPAZLBCEPL-RUZDIDTESA-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