General Information of the Compound
| Compound ID |
CP0434315
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| Compound Name |
N-[(2R)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(cyclopropanecarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopropanecarboxamide
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| Structure |
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| Formula |
C44H52N6O4S2
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| Molecular Weight |
793.072
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| Canonical SMILES |
CC(C)[C@@H](NC(=O)C1CC1)C(=O)N1CCC[C@H]1c1ncc(s1)-c1ccc(cc1)-c1ccc(cc1)-c1cnc(s1)[C@@H]1CCCN1C(=O)[C@H](NC(=O)C1CC1)C(C)C
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| InChI |
InChI=1S/C44H52N6O4S2/c1-25(2)37(47-39(51)31-17-18-31)43(53)49-21-5-7-33(49)41-45-23-35(55-41)29-13-9-27(10-14-29)28-11-15-30(16-12-28)36-24-46-42(56-36)34-8-6-22-50(34)44(54)38(26(3)4)48-40(52)32-19-20-32/h9-16,23-26,31-34,37-38H,5-8,17-22H2,1-4H3,(H,47,51)(H,48,52)/t33-,34-,37+,38+/m0/s1
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| InChIKey |
OCEYKKKWZIWLKP-QXOULVPSSA-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